SCHEMBL10015141

SCHEMBL10015141

C=C(CCC=C(C)C)CC/C=C(\C)CC(=O)OCC1OC(Oc2ccc3c(c2)OC(c2ccc(OC)c(OC)c2)CC3=O)C(O)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.48
▸ TRPA1 O75762 1/20 0.46
▸ P4HB P07237 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ KDM1A O60341 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CALM1 P0DP23 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL10015154 0.90 KDM1A (0.59) CYP19A1KDM1ATDP1POLBCALM1
SCHEMBL13488704 0.86 KDM1A (0.53) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL10015144 0.82 CYP19A1 (0.45) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL10015152 0.79 TRPA1 (0.60) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL13488682 0.77 KDM1A (0.51) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL31233064 0.72 KDM1A (0.81) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL2961146 0.70 TRPA1 (0.75) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL7030024 0.68 CYP19A1 (0.80) CYP19A1PTPN1
SCHEMBL22380698 0.67 SLCO2B1 (0.77) CYP19A1TRPA1P4HBTRPV1KDM1A
SCHEMBL22261653 0.67 SLCO2B1 (0.77) CYP19A1TRPA1P4HBTRPV1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207313-B2 Natural products from Vinca WILLIAM MARSH RICE UNIVERSITY (US) 2012-06-26 — — US disclosed
US-20100048494-A1 Natural Products from Vinca RICE UNIVERSITY (US) 2010-02-25 — — 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-20100048494-A1 Natural Products from Vinca HIRA, RDX, SLC22A8 CYP19A1 227/4885TRPA1 4017/4885P4HB 4046/4885

“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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