SCHEMBL30701985

SCHEMBL30701985

Oc1cc(F)c(Cl)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
ESR1 P03372 7/20 0.36
ESR2 Q92731 7/20 0.36
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
BACE1 P56817 1/20 0.32

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
SCHEMBL22112026 1.00 CYP3A4 (0.40) CYP3A4HPGDCRHBPCRHR2HSD17B10
SCHEMBL758610 0.82 HSD17B10 (0.50) CYP3A4HPGDCRHBPCRHR2HSD17B10
SCHEMBL11310694 0.82 HSD17B10 (0.50) CYP3A4HPGDCRHBPCRHR2HSD17B10
SCHEMBL31248929 0.75 TAAR1 (0.39) CYP3A4TAAR1CA12CA1CA9
SCHEMBL263907 0.75 PDK2 (0.37) HPGD
SCHEMBL11714372 0.75 HSD17B10 (0.65) CYP3A4HPGDCRHBPCRHR2HSD17B10
SCHEMBL31619139 0.75 CYP3A4 (0.38) CYP3A4
SCHEMBL21625858 0.75 HSD17B10 (0.65) CYP3A4HPGDCRHBPCRHR2HSD17B10
SCHEMBL20303393 0.75 MAPT (0.37)
SCHEMBL29428923 0.75 MAPT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 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-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC CYP3A4 3478/4885HPGD 198/4885CRHBP 3385/4885

“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.