SCHEMBL2962452

SCHEMBL2962452

COc1noc2cc(C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 2/20 0.39
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAD52 P43351 1/20 0.35
FAAH O00519 2/20 0.34
MAOB P27338 1/20 0.34
MGLL Q99685 1/20 0.34
ATM Q13315 1/20 0.34
CSNK2A2 P19784 1/20 0.34

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
SCHEMBL2963812 0.82 FAAH (0.39) KMT2AALDH1A1BRD4CHRNA7HTR3A
SCHEMBL8140185 0.81 CHRNA7 (0.45) KMT2AALDH1A1CHRNA7HTR3AMAPT
SCHEMBL17233061 0.81 FAAH (0.44) KMT2AALDH1A1CHRNA7HTR3AMAPT
SCHEMBL28608047 0.80 ALDH1A1 (0.39) KMT2AALDH1A1CHRNA7HTR3AESR1
SCHEMBL30690142 0.80 DRD2 (0.41) KMT2AALDH1A1CHRNA7HTR3AACHE
SCHEMBL29448818 0.80 ALDH1A1 (0.60) KMT2AALDH1A1BRD4CHRNA7HTR3A
SCHEMBL30874433 0.80 ALDH1A1 (0.39) KMT2AALDH1A1CHRNA7HTR3AESR1
SCHEMBL6990501 0.77 FAAH (0.44) KMT2AALDH1A1CHRNA7HTR3AMAPT
SCHEMBL4399692 0.76 CHRNB2 (0.45) ALDH1A1BRD4CHRNA7HTR3AMAPT
Hydrochloric Acid SCHEMBL6988404 0.76 FAAH (0.43) KMT2AALDH1A1CHRNA7HTR3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 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-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885ALDH1A1 3957/4885BRD4 1594/4885

“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.