SCHEMBL2289174

SCHEMBL2289174

COc1cc(C)c(Br)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CYP3A4 P08684 3/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6827911 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2HTR2A
SCHEMBL5840813 0.82 PDE4A (0.38) ALDH1A1LMNAFFAR4CYP3A4HPGD
SCHEMBL17385939 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPT
SCHEMBL701066 0.80 ALDH1A1 (0.53) ALDH1A1LMNAFFAR4CYP3A4HPGD
SCHEMBL9377735 0.80 CYP1A2 (0.44) ALDH1A1CYP3A4CYP1A2HTR2A
SCHEMBL9513058 0.80 CYP1A2 (0.41) ALDH1A1FFAR4CYP3A4HPGDCYP1A2
SCHEMBL2292752 0.79 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPT
SCHEMBL203680 0.78 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4HPGDMAPT
SCHEMBL957652 0.78 CYP3A4 (0.40) ALDH1A1CYP3A4CYP1A2HTR2A
SCHEMBL7642548 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
CN-108017603-B Tricyclic compounds and uses thereof 株式会社蒂奥姆生物 2021-07-23 CN disclosed
EP-2963027-B1 TRICYCLIC COMPOUND AND USE THEREOF TIUMBIO CO LTD (KR) 2018-12-26 EP disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 US disclosed
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
US-5536745-A (Hetero)-aryl ketones derivatives with antibacterial properties SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-16 US disclosed
EP-0652875-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1995-05-17 EP disclosed
WO-1994002478-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1994-02-03 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 (4 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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 ALDH1A1 3003/4885LMNA 1595/4885FFAR4 2318/4885
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 3674/4885LMNA 4410/4885FFAR4 838/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 2779/4885LMNA 4320/4885FFAR4 1190/4885
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 ALDH1A1 2066/4885LMNA 2845/4885FFAR4 25/4885

“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.