SCHEMBL17682919

SCHEMBL17682919

C=C(Cl)/C=C\c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GSR P00390 1/20 0.37
▸ LMNA P02545 2/20 0.36

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
SCHEMBL8349013 0.82 TSHR (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL8859640 0.82 ALDH1A1 (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL2961735 0.82 TSHR (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL6421785 0.80 ALDH1A1 (0.48) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL6421789 0.80 ALDH1A1 (0.48) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL13816225 0.80 TSHR (0.43) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL26539118 0.80 ALDH1A1 (0.43) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL7069601 0.80 ALDH1A1 (0.48) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL20373431 0.78 TSHR (0.42) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL18964893 0.78 ALDH1A1 (0.38) TSHRALDH1A1RAB9AKDM4EAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — 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-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TSHR 2124/4885ALDH1A1 526/4885RAB9A 1205/4885

“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.

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