SCHEMBL7979673

SCHEMBL7979673

Cc1cc(C(C)C)cc(C)c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
PTGS1 P23219 2/20 0.40
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
LMNA P02545 1/20 0.37
GABRB2 P47870 1/20 0.35
AKR1B1 P15121 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 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
SCHEMBL12013417 0.82 HTR1D (0.41) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL22945965 0.80 ACHE (0.40) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL7983320 0.76 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL21667041 0.76 HTR1D (0.43) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL10823077 0.76 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL8127965 0.76 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRB2FABP3
SCHEMBL12893845 0.76 GABRA1 (0.41) GABRA1GABRG2GABRB3PTGS1TRPA1
SCHEMBL29575105 0.76 HTR1D (0.40) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL12051719 0.76 PTGS1 (0.36) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL7969500 0.75 HTR1D (0.40) HTR1DHTR1BGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
CN-116813451-A Substituted benzyl alcohol compound and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
US-8569349-B2 Therapeutic compounds ALLERGAN, INC. (US) 2013-10-29 US disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 US disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 US disclosed
US-8252788-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-08-28 US disclosed
US-8252788-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-08-28 US disclosed
US-8003680-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-08-23 US disclosed
US-20110178084-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20080119538-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080119538-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-05-22 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 US disclosed
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds ALLERGAN, INC. 2008-01-17 US disclosed
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists ALLERGAN, INC. 2007-12-20 US disclosed
US-6288101-B1 ADMINISTERING COMPOUNDS SUCH AS 2,6-DIMETHYL-4-ISOPROPYLBENZALDEHYDE TO TREAT INDICATIONS WHERE STIMULATION OF SUBTYPES OF THE SEROTONIN RECEPTOR IS IMPLICATED, SUCH AS MIGRAINES VIRGINIA COMMONWEALTH UNIVERSITY 2001-09-11 US disclosed
US-6124338-A TREATING MIGRAINE HEADACHE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-09-26 US disclosed
US-6048862-A Benzylamidine derivatives with serotonin receptor binding activity VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-04-11 US disclosed
US-5969137-A TREATMENT OF NERVOUS SYSTEM DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-10-19 US disclosed
WO-1998012183-A1 IMIDAZOLES WITH SEROTONIN RECEPTOR BINDING ACTIVITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-03-26 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 (6 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-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists PTGIR, PTGIS, PTGER2 ADRA2A 107/4885ADRA2B 139/4885ADRA2C 56/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO ADRA2A 1985/4885ADRA2B 1669/4885ADRA2C 1366/4885
US-20080015219-A1 Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; acid-functional aryl substituted cyclopentanone or hydroxycyclopentane compounds PTGER2, PTGER1, PTGS2 ADRA2A 164/4885ADRA2B 239/4885ADRA2C 162/4885
US-20110178084-A1 THERAPEUTIC COMPOUNDS DDO, QDPR, SLC10A1 ADRA2A 375/4885ADRA2B 541/4885ADRA2C 527/4885
US-20080119538-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, GOT1 ADRA2A 1630/4885ADRA2B 1794/4885ADRA2C 976/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 ADRA2A 1540/4885ADRA2B 1760/4885ADRA2C 1169/4885

“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.