SCHEMBL17175255

SCHEMBL17175255

CC(C)=C1C(=O)Oc2c1ccc1cc(C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAOB P27338 7/20 0.38
MAOA P21397 4/20 0.38
CYP1A2 P05177 1/20 0.38
SIRT2 Q8IXJ6 5/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IL5 P05113 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL17175233 0.82 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL15713304 0.77 ALDH1A1 (0.38) ALDH1A1MAOBMAOACYP1A2SIRT2
SCHEMBL7432912 0.65 CYP1A2 (0.57) ALDH1A1CYP1A2SIRT2KDM4ELMNA
SCHEMBL19340013 0.65 MAOA (0.56) ALDH1A1MAOBMAOACYP1A2KDM4E
SCHEMBL607927 0.64 CYP1A2 (0.71) ALDH1A1CYP1A2KDM4ELMNAGAA
SCHEMBL17776049 0.63 GNG2 (0.53) ALDH1A1CYP1A2LMNAGAAHPGD
SCHEMBL597341 0.62 CYP1A2 (0.67) ALDH1A1CYP1A2KDM4ELMNAGAA
SCHEMBL17175235 0.62 CYP19A1 (0.31)
SCHEMBL17175231 0.62 TYMS (0.31) MAOBMAOA
SCHEMBL9644313 0.62 CYP2A6 (0.56) ALDH1A1MAOBMAOACYP1A2KDM4E

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-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 US disclosed
US-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES LI YUNING (US) 2015-10-15 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-20150295179-A1 MONOMERIC, OLIGOMERIC AND POLYMERIC SEMICONDUCTORS CONTAINING FUSED RINGS AND THEIR DEVICES PICALM, NOD2, CDH1 ALDH1A1 4649/4885MAOB 3053/4885MAOA 2391/4885

“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.