SCHEMBL317660

SCHEMBL317660

CCCCCC(O)C(C)(C)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.35
FFAR1 O14842 1/20 0.35
CSNK1E P49674 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
PRSS1 P07477 2/20 0.31
CTSG P08311 2/20 0.31
CTRB1 P17538 2/20 0.31
CMA1 P23946 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP2D6 P10635 2/20 0.30
MLYCD O95822 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL317837 0.95 ESR1 (0.31)
SCHEMBL18660141 0.84 CSNK1E (0.44) GPR84FFAR1CSNK1EPRSS1CTSG
SCHEMBL10021105 0.83 L3MBTL1 (0.38) GPR84FFAR1PRSS1CTSGCTRB1
SCHEMBL13232167 0.80 EPHX1 (0.38) GPR84FFAR1SPHK1PRSS1CTSG
SCHEMBL13693153 0.79 KIF11 (0.35) GPR84FFAR1SPHK1PRSS1CTSG
SCHEMBL18660420 0.79 ALDH1A1 (0.40) CSNK1EPRSS1CTSGCTRB1CMA1
SCHEMBL10021100 0.77 TSHR (0.39) MAPT
SCHEMBL9628975 0.76 FDPS (0.35) CSNK1EPRSS1CTSGCTRB1CMA1
SCHEMBL13232168 0.75 CYP2D6 (0.39) ALDH1A1CYP2D6POLBKDM4E
SCHEMBL317890 0.74 S1PR2 (0.41) GPR84CSNK1ELMNAALDH1A1KDM4E

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 152 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
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-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 US disclosed
WO-2007115020-A2 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN, INC. (US) 2007-10-11 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 (7 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-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 GPR84 2833/4885FFAR1 1628/4885CSNK1E 1582/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GPR84 3973/4885FFAR1 1762/4885CSNK1E 2012/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 GPR84 3553/4885FFAR1 2609/4885CSNK1E 1534/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 GPR84 4272/4885FFAR1 4144/4885CSNK1E 1669/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GPR84 3973/4885FFAR1 1762/4885CSNK1E 2012/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 GPR84 133/4885FFAR1 264/4885CSNK1E 4189/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GPR84 4146/4885FFAR1 2443/4885CSNK1E 1594/4885

“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.