SCHEMBL11001

SCHEMBL11001

CCCCC[C]1Oc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
KCNH2 Q12809 3/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36

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
Hexane SCHEMBL27754451 0.84 KMT2A (0.47) CYP1A1LIPGMAPTMEN1KMT2A
SCHEMBL5588810 0.74 CYP1A1 (0.52) CYP1A1LIPGALDH1A1ESR1ADRA2A
Butane SCHEMBL28796046 0.73 AHR (0.44) MAPTMEN1KMT2A
SCHEMBL5590163 0.72 CYP1A1 (0.54) CYP1A1LIPGALDH1A1ESR1ADRA2A
SCHEMBL5587906 0.72 CYP1A1 (0.54) CYP1A1LIPGALDH1A1ESR1ADRA2A
SCHEMBL5587035 0.72 CYP1A1 (0.54) CYP1A1LIPGALDH1A1ESR1ADRA2A
SCHEMBL5589870 0.72 CYP1A1 (0.54) CYP1A1LIPGALDH1A1ESR1ADRA2A
1-Bromobutane SCHEMBL1171658 0.71 KMT2A (0.40) CYP1A1MAPTMEN1KMT2A
Phenoxazine SCHEMBL28258548 0.71 ALOX5 (0.68) LIPGMEN1KMT2A
SCHEMBL28222763 0.69 LIPG (0.46) CYP1A1LIPGKCNH2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 EP claimed
US-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers FERRIS STATE UNIVERSITY (US) 2023-11-14 US disclosed
EP-3483143-B1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2023-10-18 EP disclosed
US-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW THE UNIVERSITY OF SYDNEY (AU) 2023-05-04 US disclosed
US-20230111853-A1 COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION ORIONIS BIOSCIENCES, INC. 2023-04-13 US disclosed
US-20230099031-A1 BIFUNCTIONAL AGENTS FOR PROTEIN RECRUITMENT AND/OR DEGRADATION ORIONIS BIOSCIENCES, INC. 2023-03-30 US disclosed
EP-4092012-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2022-11-23 EP disclosed
US-20220169611-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC (US) 2022-06-02 US disclosed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
US-20220048893-A1 Compounds for Treating Neurodegenerative Diseases and Cancers HONGYI & ASS LLC (US) 2022-02-17 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO 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 (12 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-20230111853-A1 COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION CRBN, STUB1, ADRM1 CYP1A1 4328/4885LIPG 3253/4885KCNH2 4852/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP1A1 59/4885LIPG 67/4885KCNH2 2567/4885
US-20220169611-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A CYP1A1 831/4885LIPG 4600/4885KCNH2 4697/4885
US-20230099031-A1 BIFUNCTIONAL AGENTS FOR PROTEIN RECRUITMENT AND/OR DEGRADATION MDM2, SUMO2, MYCBP2 CYP1A1 4566/4885LIPG 3112/4885KCNH2 4880/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP1A1 21/4885LIPG 134/4885KCNH2 3957/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP1A1 184/4885LIPG 205/4885KCNH2 3539/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP1A1 21/4885LIPG 134/4885KCNH2 3957/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP1A1 184/4885LIPG 205/4885KCNH2 3539/4885
US-20220048893-A1 Compounds for Treating Neurodegenerative Diseases and Cancers SNCA, NGF, SLC18A2 CYP1A1 1292/4885LIPG 946/4885KCNH2 3930/4885
US-11814388-B1 Substituted pyrrolo[2,3-d]pyrimidines and pyrazolo[3,4-d]pyrimidines as inhibitors for multi-resistant cancers AURKA, AURKC, AURKB CYP1A1 4010/4885LIPG 4778/4885KCNH2 1281/4885
US-20230133885-A1 NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW SCLY, SRM, SELENOI CYP1A1 4029/4885LIPG 801/4885KCNH2 4643/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN CYP1A1 4569/4885LIPG 1646/4885KCNH2 4773/4885

“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.