SCHEMBL2818645

SCHEMBL2818645

CC(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
ALDH1A1 P00352 1/20 1.00
ICMT O60725 14/20 0.67
MEN1 O00255 1/20 0.61
TRPA1 O75762 1/20 0.61
KMT2A Q03164 1/20 0.61
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56

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
SCHEMBL5423426 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL8025173 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL5433147 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL664393 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL5274733 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1648111 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL4024890 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL2818639 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1648108 1.00 MAPT (1.00) MAPTALDH1A1ICMTMEN1TRPA1
SCHEMBL1762100 0.99 MAPT (0.97) MAPTALDH1A1ICMTMEN1TRPA1

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
CN-108852927-A A kind of pox-dispelling function skin care compositions and its application containing growth factor 广东科玮生物技术股份有限公司 2018-11-23 CN disclosed
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SIGNUM BIOSCIENCES, INC. (US) 2010-09-30 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 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-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase BHMT, BHMT2, GNMT MAPT 2122/4885ALDH1A1 811/4885ICMT 7/4885
US-20100247461-A1 ANTI-INFLAMMATORY COMPLEXES SSB, NFKBIA, FABP1 MAPT 2899/4885ALDH1A1 1904/4885ICMT 3246/4885

“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.