SCHEMBL30997142

SCHEMBL30997142

COc1ccccc1-c1c(OC)ccc(Cl)c1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.41
HTR1A P08908 8/20 0.41
HTR2B P41595 8/20 0.41
HTR5A P47898 8/20 0.41
HTR1D P28221 7/20 0.41
HTR1B P28222 7/20 0.41
HTR2A P28223 7/20 0.41
HTR6 P50406 7/20 0.41
HTR1E P28566 6/20 0.41
HTR3A P46098 3/20 0.41
HTR2C P28335 5/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
PKM P14618 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
SCHEMBL29375643 0.84 HTR1A (0.37) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL31680193 0.84 MAP2 (0.34) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL31669654 0.83 HTR1A (0.36) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL21331833 0.79 HTR1A (0.41) HTR7HTR1AHPGDRAB9ASMN1; SMN2
SCHEMBL21331777 0.79 SMN1; SMN2 (0.43) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL29841836 0.79 HPGD (0.40) HPGDRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL3023273 0.79 HPGD (0.40) HPGDRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL2709792 0.78 HPGD (0.42) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL17513073 0.78 HPGD (0.38) HPGDRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL28353796 0.77 HPGD (0.40) HPGDRAB9ASMN1; SMN2NPC1TSHR

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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-07-25 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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS HTR7 4842/4885HTR1A 4840/4885HTR2B 4845/4885

“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.