SCHEMBL645826

SCHEMBL645826

Cc1[c]cc(-c2cccc(C)c2C)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
NUDT1 P36639 3/20 0.32
P2RX7 Q99572 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7450369 0.78 MYC (0.32) TRPA1ATMP2RX7TSHRSMN1; SMN2
SCHEMBL19838629 0.78 TRPA1 (0.48) TRPA1ATMNUDT1P2RX7CYP1A2
SCHEMBL5147351 0.78 TRPA1 (0.37) TRPA1ATMNUDT1P2RX7CYP1A2
SCHEMBL30834716 0.78 TRPA1 (0.52) TRPA1ATMNUDT1P2RX7CYP1A2
SCHEMBL218508 0.78 TRPA1 (0.52) TRPA1ATMNUDT1P2RX7CYP1A2
SCHEMBL1422076 0.76 HTR7 (0.31) NUDT1
Hydrogen Sulfide SCHEMBL1538405 0.75 TRPA1 (0.50) TRPA1ATMNUDT1P2RX7CYP1A2
Ammonia Solution, Strong SCHEMBL22444763 0.75 TRPA1 (0.50) TRPA1ATMNUDT1P2RX7CYP1A2
Ammonia Solution, Strong SCHEMBL15862222 0.75 TRPA1 (0.50) TRPA1ATMNUDT1P2RX7CYP1A2
SCHEMBL9412187 0.71 PDCD1 (0.38) CYP2A6SMN1; SMN2CA2CA9ALDH1A1

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-8119779-B2 Phosphoramidate derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED 2012-02-21 US disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
EP-1622966-A1 POLYMER NETWORKS The University of Reading (GB) 2006-02-08 EP disclosed
US-6822118-B1 CATALYTIC REACTION USING IRIDIUM COMPOUND UNDER HIGH PRESSURE IN PRESENCE OF METAL- OR AMMONIUM- CHLORIDE, BROMIDE, OR IODIDE AND ACID SYNGENTA CROP PROTECTION, INC. 2004-11-23 US disclosed
WO-2004094504-A1 POLYMER NETWORKS THE UNIVERSITY OF READING (GB) 2004-11-04 WO 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-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 TRPA1 1881/4885ATM 3658/4885NUDT1 760/4885

“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.