SCHEMBL5751880

SCHEMBL5751880

Clc1cc2c(cc1Cl)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CDC25B P30305 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
KDM1A O60341 1/20 0.35
AHR P35869 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL30315317 0.93 SIGMAR1 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3828409 0.81 GAA (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29991968 0.81 HTR2A (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30022296 0.81 GAA (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9912415 0.81 CD44 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25167091 0.81 AHR (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10157969 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL1795462 0.78 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10158645 0.75 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8639793 0.75 MAOA (0.55) MAPK1MEN1KMT2AMAOAMAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961396-B2 Methine dyes LANXESS DEUTSCHLAND GMBH (DE) 2021-03-30 US disclosed
US-20190112485-A1 NOVEL METHINE DYES LANXESS DEUTSCHLAND GMBH (DE) 2019-04-18 US disclosed
US-7550544-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-23 US disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-0374054-B1 INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES OBTAINED, THEIR USE AS MEDICINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-10-06 EP disclosed
EP-0374054-A1 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines, and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-06-20 EP 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 (3 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-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 SIGMAR1 572/4885GRIN2D 2713/4885GRIN3B 2244/4885
US-20190112485-A1 NOVEL METHINE DYES TET1, TET3, PRMT5 SIGMAR1 1358/4885GRIN2D 1025/4885GRIN3B 2267/4885
US-10961396-B2 Methine dyes PNMT, TET1, PRMT5 SIGMAR1 1450/4885GRIN2D 1166/4885GRIN3B 2504/4885

“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.