SCHEMBL16309563

SCHEMBL16309563

C=Cc1ccc2ccccc2c1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CYP2A6 P11509 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
MYB P10242 1/20 0.34
TLR8 Q9NR97 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
HPRT1 P00492 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11763980 0.83 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3698426 0.81 POLB (0.46) MAPTALDH1A1TSHRCYP2A6HSD17B10
SCHEMBL16307954 0.81 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2201698 0.80 ALDH1A1 (0.42) MAPTCYP1A2ALDH1A1TSHRCYP2A6
SCHEMBL26033936 0.77 ALDH1A1 (0.39) MAPTCYP1A2ALDH1A1TSHRCYP2A6
SCHEMBL8490846 0.77 CYP3A4 (0.37) MAPTCYP1A2ALDH1A1TSHRCYP2A6
SCHEMBL9310776 0.77 SLC2A1 (0.43) MAPTALDH1A1TSHRCYP2A6HSD17B10
SCHEMBL10553536 0.76 TLR8 (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3274765 0.76 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27740253 0.75 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C MAPT 3557/4885CYP1A2 169/4885CYP2C9 1728/4885

“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.