SCHEMBL18550776

SCHEMBL18550776

C=C1C(=O)O[C@H]2C3C(=O)C=C[C@H]3CCC[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.52
▸ PKM P14618 6/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ STAT6 P42226 2/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL17147743 0.68 CYP19A1 (0.56) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL2543370 0.65 POLB (0.35) ALDH1A1KMT2ARECQLTDP1
Dehydrocostuslactone SCHEMBL699070 0.65 CYP19A1 (0.46) CYP19A1PKMALDH1A1LMNATP53
Dehydrocostuslactone SCHEMBL31029489 0.65 CYP19A1 (0.46) CYP19A1PKMALDH1A1LMNATP53
Dehydrocostuslactone SCHEMBL936050 0.65 CYP19A1 (0.46) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL8394084 0.64 CYP19A1 (0.44) CYP19A1PKMLMNATP53CYP3A4
SCHEMBL24299728 0.61 CYP19A1 (0.41) CYP19A1PKMLMNATP53CYP3A4
SCHEMBL10192292 0.61 CYP19A1 (0.41) CYP19A1PKMLMNATP53CYP3A4
Dehydrozaluzanin C SCHEMBL17214360 0.61 CYP19A1 (0.42) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL18981060 0.59 CYP19A1 (0.40) CYP19A1PKMLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2017-02-23 — — 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-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A CYP19A1 2019/4885PKM 3877/4885ALDH1A1 1819/4885

“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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