SCHEMBL21733603

SCHEMBL21733603

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 4/20 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
SCHEMBL12245556 0.83 KMT2A (0.44) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15292034 0.81 ALDH1A1 (0.47) CYP2A6ALDH1A1MAPTMEN1KMT2A
SCHEMBL24854541 0.81 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28910527 0.79 KDM4E (0.41) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29456947 0.78 KMT2A (0.59) CYP1A2CYP2A6ALDH1A1MAPTMEN1
SCHEMBL35404 0.78 KMT2A (0.59) CYP1A2CYP2A6ALDH1A1MAPTMEN1
SCHEMBL31476921 0.78 KMT2A (0.59) CYP1A2CYP2A6ALDH1A1MAPTMEN1
SCHEMBL29503708 0.77 ALDH1A1 (0.44) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7800631 0.77 ALDH1A1 (0.44) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5887389 0.76 KMT2A (0.53) ALDH1A1MAPTMEN1KMT2AHPGD

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-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 — — US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS CYP1A2 3503/4885CYP2A6 3939/4885ALDH1A1 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