SCHEMBL85681

SCHEMBL85681

CC(C)(C)C(C)(C)c1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HSP90AA1 P07900 1/20 0.37
POLB P06746 1/20 0.34
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31

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
SCHEMBL179284 0.80 CYP19A1 (0.42) CYP19A1KDM4EHSP90AA1POLBNAPRT
SCHEMBL31256061 0.80 CYP19A1 (0.42) CYP19A1KDM4EHSP90AA1POLBNAPRT
SCHEMBL21169011 0.79 CYP19A1 (0.36) CYP19A1KDM4EHSP90AA1NPC1RAB9A
SCHEMBL11125408 0.79 CYP19A1 (0.36) CYP19A1KDM4EHSP90AA1SMN1; SMN2
SCHEMBL19522790 0.79 CYP19A1 (0.36) CYP19A1KDM4EHSP90AA1POLBNPC1
SCHEMBL21308429 0.77 SMN1; SMN2 (0.45) CYP19A1KDM4EPOLBNPC1RAB9A
SCHEMBL20774860 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1POLBNAPRT
SCHEMBL8289716 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1POLBNAPRT
SCHEMBL9589700 0.76 CYP19A1 (0.40) CYP19A1KDM4EHSP90AA1POLBNAPRT
SCHEMBL19573760 0.76 HSP90AA1 (0.42) CYP19A1KDM4EHSP90AA1POLBNAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455533-B1 Process for the production of benzyl methacrylate and its aromatic ring substituted halogenated and alkylated derivatives ATOCHEM (FR) 1993-12-15 EP claimed
US-5169980-A Catalytic reaction of benzyl chloride and alkali metal methacrylate ELF ATOCHEM S.A. (FR) 1992-12-08 US claimed
EP-0455533-A1 Process for the production of benzyl methacrylate and its aromatic ring substituted halogenated and alkylated derivatives ELF ATOCHEM S.A. (FR) 1991-11-06 EP claimed
JP-5043513-A None JP disclosed
CN-116675727-A Method for synthesizing amide and/or polypeptide by taking unprotected amino acid as ammonia component 广州医科大学 2023-09-01 CN disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US disclosed
EP-0455533-B1 Process for the production of benzyl methacrylate and its aromatic ring substituted halogenated and alkylated derivatives ATOCHEM (FR) 1993-12-15 EP disclosed
JP-H0543513-A NEW PRODUCTION METHOD OF BENZYL METHACRYLATE AND ITS DERIVATIVE WHICH ARE HALOGENATED OR ALKYLATED ON AROMATIC NUCLEUS ELF ATOCHEM SA 1993-02-23 JP disclosed
US-5169980-A Catalytic reaction of benzyl chloride and alkali metal methacrylate ELF ATOCHEM S.A. (FR) 1992-12-08 US disclosed
EP-0455533-A1 Process for the production of benzyl methacrylate and its aromatic ring substituted halogenated and alkylated derivatives ELF ATOCHEM S.A. (FR) 1991-11-06 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 (2 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CYP19A1 4780/4885KDM4E 4010/4885HSP90AA1 1637/4885
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B CYP19A1 362/4885KDM4E 3956/4885HSP90AA1 1676/4885

“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.