SCHEMBL25062001

SCHEMBL25062001

Bc1cc(C)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ACHE P22303 3/20 0.44
CYP3A4 P08684 4/20 0.41
PTPN1 P18031 2/20 0.39
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14387492 0.84 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4CYP1A1CYP1B1
SCHEMBL470715 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP1A1CYP1B1CA12
Water SCHEMBL27933293 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP1A1CYP1B1CA12
SCHEMBL145855 0.81 ALDH1A1 (0.62) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL12501 0.81 ALDH1A1 (0.73) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL29587173 0.78 ALDH1A1 (0.59) ALDH1A1ACHECYP3A4PTPN1CYP1A1
SCHEMBL12038126 0.75 FFAR4 (0.37) ALDH1A1CYP3A4KDM4EHPGDTSHR
SCHEMBL3625653 0.74
SCHEMBL10172340 0.74
SCHEMBL2952197 0.74 ALDH1A1 (0.53) ALDH1A1ACHECYP3A4PTPN1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 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 (2 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-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS ALDH1A1 2214/4885ACHE 4515/4885CYP3A4 4459/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ALDH1A1 2214/4885ACHE 4515/4885CYP3A4 4459/4885

“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.