SCHEMBL13038544

SCHEMBL13038544

C=CCCC(OC(C)=O)C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CBLB Q13191 1/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
TSHR P16473 4/20 0.33
FAAH O00519 2/20 0.31
MGLL Q99685 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL740046 0.80 CYP2D6 (0.38) CBLBTSHR
SCHEMBL15934939 0.78 USP2 (0.40) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL19822065 0.77 ALOX15 (0.40) ALDH1A1CBLB
SCHEMBL11131009 0.76 TSHR (0.41) MAPTSMN1; SMN2ALDH1A1CBLBTSHR
SCHEMBL11400607 0.76 CBLB (0.37) MAPTSMN1; SMN2CBLBTSHRCHRM2
SCHEMBL6864349 0.76 TSHR (0.45) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL13764173 0.74 ALDH1A1 (0.38) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL7163891 0.73 SMN1; SMN2 (0.37) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL29008692 0.73 TRPV1 (0.40) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL10978626 0.73 GAA (0.34) CBLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS HOVEYDA AMIR H 2010-11-18 US disclosed
US-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS HOVEYDA AMIR H 2010-11-18 US disclosed
US-7723255-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2010-05-25 US disclosed
US-7723255-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2010-05-25 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 (2 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-20100292486-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 USP2 1295/4885CYP3A4 220/4885MAPT 2215/4885
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 USP2 1295/4885CYP3A4 220/4885MAPT 2215/4885

“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.