SCHEMBL3198476

SCHEMBL3198476

CC(Oc1ccccc1)C(=O)C1(C)CC2C=CC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
P2RX7 Q99572 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL201527 0.79 P2RX7 (0.41) TSHRP2RX7GAASMN1; SMN2TDP1
SCHEMBL15113892 0.76 P2RX7 (0.39) P2RX7CYP2C19
SCHEMBL4103952 0.72 KMT2A (0.43) P2RX7CYP1A2GAACYP2C9PKM
SCHEMBL12191694 0.70 P2RX7 (0.41) P2RX7CYP2C19TDP1MEN1KMT2A
SCHEMBL32688678 0.70 P2RX7 (0.41) P2RX7CYP2C19TDP1MEN1KMT2A
SCHEMBL5423530 0.70 P2RX7 (0.41) P2RX7CYP2C19TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL3901856 0.69 P2RX7 (0.40) P2RX7CYP2C19
SCHEMBL5450441 0.68 P2RX7 (0.40) TSHRP2RX7HPGDTDP1KDM4E
SCHEMBL4100310 0.68 L3MBTL1 (0.43) P2RX7CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL9984755 0.67 P2RX7 (0.41) P2RX7CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884519-B1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR CORP (JP) 2014-03-19 EP disclosed
US-7675587-B2 Polarizing plate and process for producing the same JSR CORPORATION (JP) 2010-03-09 US disclosed
US-20090176950-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR CORPORATION (JP) 2009-07-09 US disclosed
EP-1983023-A1 Radiation-curable composition, composite and manufacturing method thereof JSR Corporation (JP) 2008-10-22 EP disclosed
EP-1884519-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR Corporation (JP) 2008-02-06 EP disclosed
EP-1626294-A2 Polarizing plate and process for producing the same JSR Corporation (JP) 2006-02-15 EP disclosed
US-20060027322-A1 Polarizing plate and process for producing the same JSR CORPORATION (JP) 2006-02-09 US 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 (1 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-20090176950-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN HPD, HMOX2, HAO2 TSHR 4545/4885P2RX7 4426/4885CYP1A2 328/4885

“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.