SCHEMBL15093129

SCHEMBL15093129

O=C(O)c1ccccc1C12CCC(CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL5475249 0.84 KDM4E (0.53) ALDH1A1ALOX15KDM4ECYP3A4HPGD
SCHEMBL2747082 0.81 KDM4E (0.47) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL11119681 0.80 METAP2 (0.38) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL9467542 0.79 KDM1A (0.36)
SCHEMBL11233815 0.78 METAP2 (0.39) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL30293277 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15KDM4ECYP3A4TDP1
SCHEMBL3103198 0.76 KDM4E (0.43) ALDH1A1ALOX15KDM4ECYP3A4HPGD
SCHEMBL3123352 0.76 KDM4E (0.43) ALDH1A1ALOX15KDM4ECYP3A4HPGD
SCHEMBL3049402 0.76 ALOX5AP (0.37) ALDH1A1ALOX15KDM4ECYP3A4TDP1
SCHEMBL6853710 0.75 KDM4E (0.42) ALDH1A1ALOX15KDM4ECYP3A4HPGD

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-9023340-B2 Wnt inhibitors for human stem cell differentiation CHEMREGEN, INC. (US) 2015-05-05 US disclosed
US-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION CHEMREGEN, INC 2013-07-11 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-20130177535-A1 WNT INHIBITORS FOR HUMAN STEM CELL DIFFERENTIATION WNT3A, WNT1, WNT3 ALDH1A1 767/4885ALOX15 4464/4885KDM4E 1699/4885

“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.