SCHEMBL316819

SCHEMBL316819

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
LMNA P02545 3/20 0.38
ADRA2C P18825 2/20 0.38
HIF1A Q16665 2/20 0.38
ADRA2A P08913 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
THPO P40225 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ADRA1A P35348 2/20 0.35
HTR2A P28223 2/20 0.35
CHRM2 P08172 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL11539994 0.85 KDM4E (0.38) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL6839350 0.81 KDM4E (0.46) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL9697406 0.79
SCHEMBL426212 0.79
SCHEMBL8133411 0.79 ADRA2A (0.31) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL27482736 0.77
SCHEMBL28040600 0.77 NOS3 (0.39) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL27293370 0.76 KDM4E (0.50) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL8207275 0.75 KDM4E (0.48) KDM4ELMNAADRA2CHIF1AADRA2A
SCHEMBL3762114 0.75 ESR1 (0.33)

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 207 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
CN-1312229-C Process for producing chemically treated fillers PPG IND OHIO INC (US) 2007-04-25 CN claimed
CN-1312228-C Process for producing chemically modified fillers PPG IND OHIO INC (US) 2007-04-25 CN claimed
CN-1374989-A Process for producing chemically treated fillers PPG IND OHIO INC (US) 2002-10-16 CN claimed
CN-1374988-A Process for producing chemically modified fillers PPG IND OHIO INC (US) 2002-10-16 CN claimed
CN-105520941-B Substituted gamma lactams as therapeutic agents 阿勒根公司 2020-05-01 CN disclosed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
CN-1374989-A Process for producing chemically treated fillers PPG IND OHIO INC (US) 2002-10-16 CN disclosed
CN-1374988-A Process for producing chemically modified fillers PPG IND OHIO INC (US) 2002-10-16 CN 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 KDM4E 2381/4885LMNA 3131/4885ADRA2C 570/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 KDM4E 1468/4885LMNA 3937/4885ADRA2C 2246/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 KDM4E 2953/4885LMNA 2522/4885ADRA2C 472/4885

“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.