SCHEMBL2093549

SCHEMBL2093549

CCCC(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.53
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
SLC7A5 Q01650 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19506428 0.87 PDE2A (0.48) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL14233628 0.85 PDE2A (0.56) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL12318715 0.85 PDE2A (0.56) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL2093547 0.84 PDE2A (0.47) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL1044972 0.84 PDE2A (0.47) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL25749775 0.84 PDE2A (0.50) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL27600859 0.83 PDE2A (0.50) PDE2AALDH1A1TSHRLMNASLC7A5
SCHEMBL1042393 0.81 PDE2A (0.45) PDE2AALDH1A1SLC7A5HDAC3HDAC1
SCHEMBL1042394 0.81 PDE2A (0.45) PDE2AALDH1A1LMNASLC7A5HDAC3
SCHEMBL2093775 0.81 PDE2A (0.45) PDE2AALDH1A1TSHRLMNASLC7A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
US-20230157287-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-25 US disclosed
US-20210155601-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-27 US disclosed
US-20210070713-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-03-11 US disclosed
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-08 US disclosed
US-20200270311-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDREN'S HOSPITAL (US) 2020-08-27 US disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-10428025-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2019-10-01 US disclosed
US-10407392-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2019-09-10 US disclosed
US-10399943-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2019-09-03 US disclosed
US-20170144990-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-05-25 US disclosed
US-20170081285-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-100584823-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO 2010-01-27 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-100376549-C Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2008-03-26 CN disclosed
CN-101033200-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2007-09-12 CN disclosed
CN-1639114-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN disclosed
CN-1524071-A Malononitrile compounds and their use as pesticides ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 PDE2A 982/4885ALDH1A1 2372/4885TSHR 236/4885
US-20200270311-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE CLPP, DNPEP, PEPD PDE2A 1738/4885ALDH1A1 4416/4885TSHR 3864/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PDE2A 3649/4885ALDH1A1 412/4885TSHR 162/4885
US-20170144990-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885TSHR 4755/4885
US-20230157287-A1 PESTICIDAL COMPOUNDS PNMT, CAT, DDT PDE2A 242/4885ALDH1A1 1917/4885TSHR 2805/4885
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 PDE2A 2169/4885ALDH1A1 261/4885TSHR 2275/4885
US-10407392-B2 Antifungal compound process ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885TSHR 4755/4885
US-20210155601-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, EPHX2 PDE2A 2169/4885ALDH1A1 261/4885TSHR 2275/4885
US-10399943-B2 Antifungal compound process ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885TSHR 4755/4885
US-20210070713-A1 PESTICIDAL COMPOUNDS CAT, NIT2, PNMT PDE2A 301/4885ALDH1A1 1368/4885TSHR 2952/4885
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 PDE2A 2169/4885ALDH1A1 261/4885TSHR 2275/4885
US-10428025-B2 Antifungal compound process ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885TSHR 4755/4885
US-20170081285-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885TSHR 4755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.