SCHEMBL2033702

SCHEMBL2033702

C=C(C)CCC(CC)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
OPRM1 P35372 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
FDPS P14324 1/20 0.33
FFAR1 O14842 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
SCHEMBL38664835 0.94 CA2 (0.57) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL31521545 0.85 ALDH1A1 (0.52) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL29139850 0.85 CA2 (0.41) CA2ALDH1A1TDP1
SCHEMBL31434867 0.82 CA2 (0.35) CA2ALDH1A1TDP1
SCHEMBL29323570 0.81 LMNA (0.52) ALDH1A1LMNATDP1TSHRFFAR4
SCHEMBL31521570 0.81 CA2 (0.42) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL25707195 0.81 ALDH1A1 (0.42) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL11972821 0.79 LMNA (0.50) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL14628150 0.79 CA2 (0.60) CA2ALDH1A1LMNATDP1TSHR
SCHEMBL252431 0.79 ALDH1A1 (0.57) CA2ALDH1A1LMNATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446145-B2 Curcumin-antibody conjugates as anti-cancer agents RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-09-20 US disclosed
US-20130224229-A1 Novel Curcumin-Antibody Conjugates as Anti-Cancer Agents RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-29 US disclosed
WO-2011068894-A2 NOVEL CURCUMIN-ANTIBODY CONJUGATES AS ANTI-CANCER AGENTS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-06-09 WO 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-20130224229-A1 Novel Curcumin-Antibody Conjugates as Anti-Cancer Agents CD2, H1-5, EPCAM CA2 438/4885ALDH1A1 231/4885LMNA 1766/4885

“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.