SCHEMBL12521803

SCHEMBL12521803

CCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCC(OC)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ PPARG P37231 13/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ MPC2 O95563 2/20 0.48
▸ CYP2C8 P10632 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ FFAR1 O14842 5/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ RXRA P19793 1/20 0.47

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
SCHEMBL12521810 0.89 CYP3A4 (0.61) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL12521809 0.87 CYP3A4 (0.76) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL12521788 0.86 CYP3A4 (0.75) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL1070520 0.77 CYP3A4 (0.77) CYP3A4MEN1ALDH1A1TP53CYP1A2
SCHEMBL9564660 0.76 MEN1 (0.63) CYP3A4MEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125581 0.76 HPGD (1.00) CYP3A4MEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL38185 0.76 HPGD (1.00) CYP3A4MEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125576 0.76 HPGD (1.00) CYP3A4MEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL3189397 0.75 HPGD (0.98) CYP3A4MEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL21582134 0.75 HPGD (0.98) CYP3A4MEN1ALDH1A1TP53CYP1A2

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
WO-2011091033-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2011-07-28 — — WO disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 — — US disclosed
US-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS BRAINCELLS, INC. (US) 2010-07-22 — — 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 (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-20100184806-A1 MODULATION OF NEUROGENESIS BY PPAR AGENTS PPARG, PPARA, PPARD CYP3A4 4831/4885MEN1 4688/4885ALDH1A1 2091/4885

“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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