SCHEMBL30905945

SCHEMBL30905945

Cc1cc(Cl)cc(Cl)c1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.39
AHR P35869 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 4/20 0.39
RECQL P46063 3/20 0.39
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 3/20 0.31
ALOX15 P16050 3/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 2/20 0.31
ADRA1A P35348 2/20 0.31
HTR2B P41595 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
ALOX12 P18054 2/20 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
SCHEMBL2147169 0.88 ENPP2 (0.40) RAPGEF4AHRALDH1A1TSHRCYP3A4
SCHEMBL3729974 0.83 TSHR (0.48) AHRALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL13494614 0.80 ALDH1A1 (0.38) RAPGEF4AHRALDH1A1TSHRHSD17B10
SCHEMBL29955565 0.80 ALDH1A1 (0.38) RAPGEF4AHRALDH1A1TSHRHSD17B10
SCHEMBL30905965 0.78 NPC1 (0.31) RAPGEF4SMN1; SMN2
SCHEMBL1425551 0.74 TSHR (0.52) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL29957125 0.74 TSHR (0.52) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL12781052 0.73 CA2 (0.35) RAPGEF4ALDH1A1TSHRERN1HTT
SCHEMBL24425038 0.72 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL13744875 0.72 ERN1 (0.44) ALDH1A1TSHRHSD17B10CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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 (4 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE RAPGEF4 4713/4885AHR 3414/4885ALDH1A1 3259/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE RAPGEF4 4713/4885AHR 3414/4885ALDH1A1 3259/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE RAPGEF4 4713/4885AHR 3414/4885ALDH1A1 3259/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE RAPGEF4 4713/4885AHR 3414/4885ALDH1A1 3259/4885

“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.