SCHEMBL3629414

SCHEMBL3629414

CCc1c[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
ALPL P05186 8/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BUB1 O43683 3/20 0.39
OPRM1 P35372 1/20 0.39
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL5417695 0.81 AURKA (0.41) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL1220108 0.79 HSD17B10 (0.42) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL5409905 0.78 ALDH1A1 (0.39) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL7667971 0.78 HSD17B10 (0.43) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL5410752 0.77 ALPL (0.36) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL7663410 0.77 HSD17B10 (0.41) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL7661033 0.75 HSD17B10 (0.40) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL7665849 0.75 HSD17B10 (0.43) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL6409087 0.74 KMT2A (0.46) ALPLALDH1A1KDM4EMEN1KMT2A
SCHEMBL3630522 0.73 BUB1 (0.40) HSD17B10ALPLALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-6395766-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-28 US disclosed
WO-1999062899-A1 TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 1999-12-09 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 HSD17B10 774/4885ALPL 3965/4885ALDH1A1 479/4885

“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.