SCHEMBL902375

SCHEMBL902375

CCCC[n+]1cccc(CC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
ACHE P22303 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL29659675 1.00 HTT (0.46) HTTABCB11ESR1PGRCHRM2
Bromide SCHEMBL384486 0.98 KDM4E (0.46) HTTCHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL2833307 0.98 RAD52 (0.46) HTTABCB11ESR1PGRCHRM2
SCHEMBL4070618 0.94 HTT (0.53) HTTABCB11ESR1PGRCHRM2
SCHEMBL22265223 0.93 HTT (0.41) HTTABCB11ESR1PGRCHRM2
SCHEMBL29851032 0.93 HTT (0.41) HTTABCB11ESR1PGRCHRM2
SCHEMBL385303 0.93 HTT (0.41) HTTABCB11ESR1PGRCHRM2
SCHEMBL3922589 0.93 HTT (0.56) HTTABCB11ESR1PGRCHRM2
SCHEMBL5292793 0.93 HTT (0.56) HTTABCB11ESR1PGRCHRM2
SCHEMBL5291635 0.93 HTT (0.56) HTTABCB11ESR1PGRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
JP-4794561-B2 2011-10-19 JP claimed
WO-2010125302-A1 USE OF IONIC LIQUID FOR THE PERMANENT SHAPING OF KERATINIC FIBRES L'OREAL (FR) 2010-11-04 WO claimed
CN-1962602-B Process for preparing dimethyl carbonate by reacting methanol, carbon monoxide and oxygen UNIV SHANXI NORMAL 2010-05-12 CN claimed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US claimed
EP-1789160-B1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF SE (DE) 2009-11-18 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US claimed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
CN-1962602-A Process for preparing dimethyl carbonate by reacting methanol, carbon monoxide and oxygen UNIV SHANXI NORMAL (CN) 2007-05-16 CN claimed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO claimed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
WO-2024142789-A1 GOLD ELECTROPLATING SOLUTION AND METHOD FOR PRODUCING GOLD-ELECTROPLATED COATING 日本高純度化学株式会社 2024-07-04 WO disclosed
US-20240034633-A1 PROCESS FOR PRODUCING PHOSGENE BY REACTION OF POLYCHLORINE ANIONS AND CARBON MONOXIDE COVESTRO DEUTSCHLAND AG (DE) 2024-02-01 US disclosed
US-20050269001-A1 Ionic liquid energetic materials AMERICAN PACIFIC CORPORATION 2005-12-08 US disclosed
WO-2005111151-A1 SECONDARY TREATMENT OF PIGMENTS IN IONIC LIQUIDS CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-11-24 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 (2 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT HTT 1805/4885ABCB11 1527/4885ESR1 3985/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 HTT 569/4885ABCB11 927/4885ESR1 3687/4885

“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.