SCHEMBL12220683

SCHEMBL12220683

COC(=O)C1CCC(C2CCC(OC(=O)C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PPM1B O75688 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PPP1CC P36873 1/20 0.32

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
SCHEMBL13321806 1.00 TP53 (0.41) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14274401 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL20152488 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL20152491 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL20152489 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL13074339 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL170528 0.93 CYP19A1 (0.38) TP53SMN1; SMN2CYP19A1ALDH1A1MAPT
SCHEMBL18251847 0.90 CYP19A1 (0.35) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10030798 0.90 CYP19A1 (0.35) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12220653 0.89 TP53 (0.48) TP53CHRNB2CHRNA4CHRNB4CHRNA3

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-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 — — US disclosed
US-20100130638-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2010-05-27 — — 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-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME F12, F2, CYP24A1 TP53 2215/4885CHRNB2 1969/4885CHRNA4 1601/4885

“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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