SCHEMBL2131663

SCHEMBL2131663

COC(=O)C=Cc1ccc(I)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.70
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA7 P43166 3/20 0.70
CA9 Q16790 3/20 0.70
CA14 Q9ULX7 3/20 0.70
TYR P14679 1/20 0.70
PTPN1 P18031 1/20 0.60
TTR P02766 1/20 0.59
APP P05067 1/20 0.59
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
JAK2 O60674 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FDPS P14324 1/20 0.50
ESR1 P03372 1/20 0.49

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
SCHEMBL2131661 1.00 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL19444747 0.90 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL71224 0.90 CA12 (0.84) CA12CA1CA2CA7CA9
SCHEMBL5057418 0.90 CA12 (0.84) CA12CA1CA2CA7CA9
SCHEMBL6661751 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6661748 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
Methyl P-Hydroxycinnamate SCHEMBL547438 0.82 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL20653 0.82 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL504081 0.82 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL2472987 0.82 CA12 (0.72) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
US-9862713-B2 Substituted bicyclic heteroaryl compounds as RXR agonists CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2018-01-09 US disclosed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US disclosed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP disclosed
US-20160333004-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-11-17 US disclosed
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 WO disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed
US-20040225146-A1 Tyrosine phosphatase scafold synthesis KOLB HARTMUTH C (US) 2004-11-11 US disclosed
EP-0821677-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-04 EP disclosed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 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 (5 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-20040225146-A1 Tyrosine phosphatase scafold synthesis PTPRC, PTPRCAP, PTPRS CA12 3195/4885CA1 3310/4885CA2 1381/4885
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 CA12 3105/4885CA1 1902/4885CA2 2249/4885
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R CA12 756/4885CA1 220/4885CA2 13/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 CA12 2544/4885CA1 2640/4885CA2 1641/4885
US-20160333004-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS RXRA, RXRB, RXRG CA12 4745/4885CA1 4789/4885CA2 4432/4885

“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.