SCHEMBL101757

SCHEMBL101757

Cc1cccc(-c2[c]cccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17444071 0.81 ACHE (0.41) ACHERAB9ANPC1HPGDTSHR
SCHEMBL7873510 0.81 ESR2 (0.46) CYP1A2IDO1ALDH1A1KMT2AMEN1
SCHEMBL7004734 0.81 AKR1C2 (0.39) ACHERAB9ANPC1HPGDTSHR
SCHEMBL2012944 0.81 MGAM (0.42) ACHENOTUMIDO1
SCHEMBL16720373 0.81 ACHE (0.41) ACHECYP1A2RAB9AL3MBTL1
SCHEMBL981110 0.79 TSHR (0.39) ACHECYP2A6RAB9ANPC1HPGD
SCHEMBL7843209 0.79 DYRK1A (0.45) ACHECYP1A2CYP2A6NOTUMALDH1A1
SCHEMBL8093284 0.79 HPGD (0.43) ACHERAB9ANPC1HPGDTSHR
SCHEMBL3346134 0.78 ACHE (0.35) ACHECYP1A2CYP2A6RAB9ANPC1
SCHEMBL15949380 0.78 IKBKB (0.41) CYP1A2RAB9ANPC1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008715-B1 HALOGEN SUBSTITUTED COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KEYLAB JIANGSU TECH CO LTD (CN) 2024-03-06 EP disclosed
EP-4008715-A1 HALOGEN SUBSTITUTED COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Suqian Keylab Biochemical Co., Ltd. (CN) 2022-06-08 EP disclosed
EP-2407514-B1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2017-03-01 EP disclosed
US-20150328588-A1 FILTRATION SYSTEMS AND MEMBRANES WITH ENHANCED FLUX AND METHOD FOR THEIR PREPARATION BASF SE (DE) 2015-11-19 US disclosed
US-20150274891-A1 MEMBRANES WITH IMPROVED FLUX AND METHOD FOR THEIR PREPARATION BASF SE (DE) 2015-10-01 US disclosed
US-20150252005-A1 Method of Synthesizing Organic Molecules VTU HOLDING GMBH (AT) 2015-09-10 US disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 US disclosed
US-9005450-B2 Use of magnetic, ionic liquids as an extraction agent PROIONIC PRODUCTION OF IONIC SUBSTANCES GMBH & CO KG (AT) 2015-04-14 US disclosed
EP-2077298-B1 POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2014-09-24 EP disclosed
US-8829084-B2 Reinforced polyester resin composition ADEKA CORPORATION (JP) 2014-09-09 US disclosed
US-7605297-B2 Method for extracting impurities using ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2009-10-20 US disclosed
US-20090176913-A1 POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2009-07-09 US disclosed
EP-2077298-A1 POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2009-07-08 EP disclosed
US-7501522-B2 Method for the production of purified 1,3-substituted imidazolium salts BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
EP-2022826-A1 POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2009-02-11 EP disclosed
US-20080009633-A1 Method for Producing High-Purity Quaternary Ammonium Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-01-10 US disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
US-20060149074-A1 Method for the production of purified 1,3-substituted imidazolium salts BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
US-7053244-B2 Method for the continuous production of tetra-substituted ureas BASF AKTIENGESELLSCHAFT (DE) 2006-05-30 US disclosed
US-20050261524-A1 Method for the continuous production of tetra-substituted ureas BASF AKTIENGESELLSCHAFT (DE) 2005-11-24 US 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 (5 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-20060149074-A1 Method for the production of purified 1,3-substituted imidazolium salts HIRA, HAO2, HACL2 ACHE 4864/4885CYP1A2 3187/4885CYP2A6 2558/4885
US-20150252005-A1 Method of Synthesizing Organic Molecules ICMT, DNMT3A, DNMT1 ACHE 666/4885CYP1A2 292/4885CYP2A6 206/4885
US-20050261524-A1 Method for the continuous production of tetra-substituted ureas UGP2, UTS2R, UMPS ACHE 1309/4885CYP1A2 947/4885CYP2A6 2244/4885
US-20080009633-A1 Method for Producing High-Purity Quaternary Ammonium Compounds SP1, EIF3A, EIF3H ACHE 4475/4885CYP1A2 4706/4885CYP2A6 4710/4885
US-20070213374-A1 Malonamide Derivatives RAF1, BRAF, ARAF ACHE 4071/4885CYP1A2 1089/4885CYP2A6 1187/4885

“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.