SCHEMBL5366841

SCHEMBL5366841

COc1cc(CCl)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.54
CA2 P00918 1/20 0.47
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4575838 0.83 TTR (0.54) TTRCA2ALDH1A1KDM4EATM
SCHEMBL12389920 0.83 CA2 (0.68) CA2ALDH1A1KDM4EATMMEN1
SCHEMBL30074670 0.83 CA2 (0.68) TTRCA2ALDH1A1KDM4EATM
SCHEMBL185845 0.83 CA2 (0.68) TTRCA2ALDH1A1KDM4EATM
SCHEMBL9505739 0.82 TTR (0.50) TTRCA2ALDH1A1KDM4ELMNA
SCHEMBL2563683 0.81 PTGS2 (0.54) CA2ALDH1A1KDM4EATMMEN1
SCHEMBL25000916 0.79 CA2 (0.47) CA2ALDH1A1KDM4EATMMEN1
SCHEMBL12806222 0.79 CA2 (0.47) TTRCA2ALDH1A1KDM4EATM
SCHEMBL21328363 0.79 TTR (0.65) TTRCA2ALDH1A1KDM4EATM
SCHEMBL21328331 0.79 TTR (0.75) TTRCA2ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-9078871-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-8703810-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
WO-2011156518-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 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 (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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 TTR 581/4885CA2 1630/4885ALDH1A1 2048/4885
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 TTR 4668/4885CA2 1883/4885ALDH1A1 1138/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 TTR 1220/4885CA2 886/4885ALDH1A1 1846/4885

“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.