SCHEMBL31476802

SCHEMBL31476802

COC(=O)C(C)(C)Nc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HSD17B1 P14061 1/20 0.40
MEN1 O00255 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40

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
SCHEMBL19707373 0.80 RAB9A (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11333348 0.79 ELANE (0.48) MAPTALDH1A1TSHRGAAKDM4E
SCHEMBL19707314 0.79 POLB (0.54) MAPTALDH1A1MEN1CYP3A4TSHR
SCHEMBL9756879 0.78 MAPT (0.59) MAPTALDH1A1CYP3A4TSHRGAA
SCHEMBL11063035 0.77 SAE1 (0.47) MAPTALDH1A1CA1CA2MEN1
SCHEMBL19707395 0.75 MAPT (0.45) MAPTALDH1A1CA12CA1CA2
SCHEMBL7022751 0.73 CYP4A11 (0.51) MAPTCA1CA2HPGD
SCHEMBL11729043 0.73 MAPT (0.45) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL6741713 0.72 KMT2A (0.41) MAPTCA1CA2MEN1KMT2A
SCHEMBL4622450 0.71 EPHX1 (0.49) MAPTCA2CA9MEN1CYP3A4

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-20250127908-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS KOLM THERAPEUTICS INC. 2025-04-24 US disclosed
WO-2025081091-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS KOLM THERAPEUTICS INC. (US) 2025-04-17 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-20250127908-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS BRDT, NFKBIA, SSB ESR2 2612/4885MAPT 4212/4885ALDH1A1 2368/4885

“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.