SCHEMBL3198481

SCHEMBL3198481

CC1(C(=O)CCOc2ccccc2)CC2C=CC1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LTA4H P09960 1/20 0.37
PKM P14618 1/20 0.37

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) P2RX7ALDH1A1RAB9AKMT2ATSHR
SCHEMBL3198476 0.74 TSHR (0.45) P2RX7CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9985219 0.74 CYP2D6 (0.39) P2RX7CYP2C19ALDH1A1TP53CYP2D6
SCHEMBL9985217 0.74 CYP2D6 (0.39) P2RX7CYP2C19ALDH1A1TP53CYP2D6
SCHEMBL12326329 0.74 P2RX7 (0.36) P2RX7CYP2C19CYP2D6
SCHEMBL19543296 0.73 CYP2D6 (0.42) P2RX7CYP2C19CYP2D6
SCHEMBL4103952 0.72 KMT2A (0.43) P2RX7CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5450441 0.71 P2RX7 (0.40) P2RX7CYP3A4ALDH1A1KMT2ATSHR
SCHEMBL19666689 0.71 L3MBTL1 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL12191694 0.70 P2RX7 (0.41) P2RX7CYP2C19ALDH1A1KMT2AMEN1

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 P2RX7 4426/4885CYP1A2 328/4885CYP3A4 351/4885

“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.