SCHEMBL6407321

SCHEMBL6407321

CC(C)(C)c1cc(C=O)ccc1OCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DRD1 P21728 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR2A P28223 1/20 0.44

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
SCHEMBL5692621 0.84 POLB (0.56) POLBTSHRALDH1A1MAPTHTT
SCHEMBL14200226 0.84 KDM4E (0.60) CYP2D6CYP1A2CYP2C19HSD17B10CYP3A4
SCHEMBL4048998 0.82 ALDH1A1 (0.65) TSHRALDH1A1MAPTHTTKMT2A
SCHEMBL29570200 0.82 ALDH1A1 (0.65) TSHRALDH1A1MAPTHTTKMT2A
SCHEMBL4056455 0.82 ALDH1A1 (0.59) TSHRALDH1A1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL5692356 0.81 ALDH1A1 (0.64) TSHRALDH1A1MAPTHTTKMT2A
SCHEMBL5692458 0.81 ALDH1A1 (0.63) POLBTSHRALDH1A1MAPTHTT
SCHEMBL5692306 0.81 ALDH1A1 (0.51) POLBTSHRALDH1A1MAPTHTT
SCHEMBL5692404 0.81 POLB (0.58) POLBTSHRALDH1A1MAPTHTT
SCHEMBL6743555 0.81 KMT2A (0.54) POLBTSHRALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 — — US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 — — US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 — — US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 — — 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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 CYP2D6 1498/4885CYP1A2 1786/4885CYP2C19 1280/4885

“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.

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