SCHEMBL8764864

SCHEMBL8764864

C=C(C)C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 6/20 0.50
HTT P42858 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SOAT1 P35610 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNQ2 O43526 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
FABP4 P15090 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL31465667 0.86 ALDH1A1 (0.56) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL18415557 0.85 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL6418936 0.83 NPC1 (0.59) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL99181 0.82 ALDH1A1 (0.59) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL8358893 0.81 CA12 (0.45) ALDH1A1MEN1CYP2C9KMT2AHTT
SCHEMBL31465661 0.80 ALDH1A1 (0.50) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL12953093 0.79 ALDH1A1 (0.55) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL28435414 0.79 ALDH1A1 (0.56) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL14328013 0.79 ALDH1A1 (0.56) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL28804252 0.79 CA12 (0.48) ALDH1A1MEN1CYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675529-B2 Dental composition containing high refractive index monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-13 US disclosed
US-9675529-B2 Dental composition containing high refractive index monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-13 US disclosed
US-20160081887-A1 DENTAL COMPOSITION CONTAINING HIGH REFRACTIVE INDEX MONOMERS 3M INNOVATIVE PROPERTIES COMPANY 2016-03-24 US disclosed
US-20160081887-A1 DENTAL COMPOSITION CONTAINING HIGH REFRACTIVE INDEX MONOMERS 3M INNOVATIVE PROPERTIES COMPANY 2016-03-24 US disclosed
WO-2014172138-A1 DENTAL COMPOSITION CONTAINING HIGH REFRACTIVE INDEX MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-23 WO disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 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-20160081887-A1 DENTAL COMPOSITION CONTAINING HIGH REFRACTIVE INDEX MONOMERS FANCI, MMS19, MACF1 ALDH1A1 2231/4885MEN1 2680/4885CYP2C9 3629/4885

“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.