SCHEMBL24854541

SCHEMBL24854541

C=CC(=O)Oc1cc(C(C)C)c2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL21733603 0.81 CYP1A2 (0.44) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL12245556 0.79 KMT2A (0.44) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL35404 0.78 KMT2A (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL31476921 0.78 KMT2A (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL29456947 0.78 KMT2A (0.59) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL15292034 0.77 ALDH1A1 (0.47) MAPTMEN1ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL27885163 0.76 KMT2A (0.58) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL25787197 0.75 THRB (0.46) TDP1LMNAL3MBTL1THRB
SCHEMBL20314895 0.75 CYP1A2 (0.53) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL819462 0.74 GPR84 (0.49) MAPTMEN1ALDH1A1HPGDKMT2A

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
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 — — 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS MAPT 3269/4885MEN1 2354/4885ALDH1A1 3678/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS MAPT 3269/4885MEN1 2354/4885ALDH1A1 3678/4885

“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.

Send feedback