SCHEMBL317586

SCHEMBL317586

CCC(O)c1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
PGR P06401 2/20 0.41
KDM4E B2RXH2 4/20 0.33
TAAR1 Q96RJ0 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP2C9 P11712 2/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 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
SCHEMBL22399245 0.82 LMNA (0.40) LMNAKDM4ETAAR1TDP1CYP2C9
SCHEMBL317303 0.82 LMNA (0.40) LMNAKDM4ETAAR1TDP1CYP2C9
SCHEMBL1607138 0.82 LMNA (0.75) LMNAPGRKDM4ETAAR1TDP1
SCHEMBL317461 0.80 KDM4E (0.42) LMNAKDM4EALDH1A1CHRM2DRD3
SCHEMBL317890 0.79 S1PR2 (0.41) LMNAKDM4EALDH1A1CHRM2DRD3
SCHEMBL28364 0.78 TSHR (0.37) LMNAKDM4ETAAR1TDP1CYP2C9
Phenylpropanol SCHEMBL27353330 0.78 LMNA (0.95) LMNAKDM4EHIF1AALDH1A1CYP1A2
SCHEMBL3598848 0.77 AOC3 (0.36) LMNAKDM4ETAAR1TDP1CYP2C9
SCHEMBL317513 0.77 S1PR2 (0.43) LMNAKDM4EALDH1A1CHRM2DRD3
SCHEMBL22363024 0.76 LMNA (0.33) LMNAKDM4ETAAR1TDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US claimed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US claimed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US claimed
US-8455493-B2 Imidazopyrazine Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2013-06-04 US claimed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP claimed
EP-2257548-B1 THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2012-12-26 EP claimed
US-7956051-B2 Therapeutic amides and related compounds ALLERGAN, INC. (US) 2011-06-07 US claimed
EP-2247583-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2010-11-10 EP claimed
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-06-03 US claimed
EP-2121609-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-25 EP claimed
WO-2009094286-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2009-07-30 WO claimed
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-07-30 US claimed
WO-2008091818-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 WO claimed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
EP-2027081-B1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN INC (US) 2017-05-03 EP disclosed
EP-2285775-B1 Lactams and their use in the treatment of inter alia ocular hypertension or baldness ALLERGAN INC (US) 2017-03-22 EP disclosed
US-5795977-A Water soluble adenosine kinase inhibitors METABASIS THERAPEUTICS, INC. (US) 1998-08-18 US disclosed
EP-0836613-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-22 EP disclosed
US-5726302-A SUBSTITUTED 4-AMINO PYRROLO(2,3-D) PYRIMIDINE AND PYRAZOLO(3,4-D) PYRIMIDINE NUCLEOSIDE ANALOGS GENSIA INC. (US) 1998-03-10 US disclosed
WO-1996040707-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 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 (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-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 LMNA 3131/4885PGR 312/4885KDM4E 2381/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 LMNA 3937/4885PGR 3041/4885KDM4E 1468/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 LMNA 2522/4885PGR 247/4885KDM4E 2953/4885

“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.