SCHEMBL3960876

SCHEMBL3960876

CCc1cccc2ccc(O)cc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
MCL1 Q07820 1/20 0.53
NQO2 P16083 3/20 0.52
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
ESRRB O95718 1/20 0.45
ESRRA P11474 1/20 0.45
ANPEP P15144 1/20 0.45
DPP4 P27487 1/20 0.45
FLT3 P36888 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
DAO P14920 2/20 0.44
DDO Q99489 1/20 0.44

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
SCHEMBL29418808 0.85 IDH1 (0.54) MTNR1AMTNR1BGABRA1GABRB2ESR1
SCHEMBL3952728 0.85 IDH1 (0.54) MTNR1AMTNR1BGABRA1GABRB2ESR1
SCHEMBL30727531 0.85 IDH1 (0.54) MTNR1AMTNR1BGABRA1GABRB2ESR1
SCHEMBL1034405 0.84 MTNR1A (0.55) MTNR1AMTNR1BMCL1NQO2ESR1
Hydrochloric Acid SCHEMBL30520083 0.83 IDH1 (0.52) MTNR1AMTNR1BGABRA1GABRB2ESR1
Hydrochloric Acid SCHEMBL30520291 0.83 IDH1 (0.52) MTNR1AMTNR1BGABRA1GABRB2ESR1
Hydrochloric Acid SCHEMBL29678754 0.83 IDH1 (0.52) MTNR1AMTNR1BGABRA1GABRB2ESR1
Hydroquinone SCHEMBL28096382 0.81 GABRA1 (0.45) MTNR1AMTNR1BGABRA1GABRB2ESR1
SCHEMBL12676044 0.81 MTNR1A (0.53) MTNR1AMTNR1BMCL1NQO2ESR1
SCHEMBL7103972 0.80 TDP1 (0.66) MTNR1AMTNR1BNQO2TRPV1

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
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
US-5780571-A RESIN OBTAINED BY CONDENSATION OF NAPHTHOL AND 4,4*-BIS/CHLOROMETHYL/BIPHENYL, OPTIONALLY REACTED WITH EPICHLOROHYDRIN NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-07-14 US disclosed
EP-0644216-B1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KK (JP) 1996-07-17 EP disclosed
EP-0644216-A1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-22 EP 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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI MTNR1A 2709/4885MTNR1B 2045/4885MCL1 1775/4885

“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.