SCHEMBL4816951

SCHEMBL4816951

[CH2]C/C=C/C/C=C/CCCC=C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
EP300 Q09472 1/20 0.31
KAT2B Q92831 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4816953 1.00 TSHR (0.36) TSHRALDH1A1TRPV1EP300KAT2B
SCHEMBL2230180 0.92
SCHEMBL28639883 0.87 TSHR (0.43) TSHRALDH1A1USP2HPGDTDP1
SCHEMBL21694717 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL25182460 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL25185216 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL22553073 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL22553071 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL21694716 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD
SCHEMBL25178037 0.84 TSHR (0.48) TSHRALDH1A1TRPV1USP2HPGD

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-7348457-B2 Ketol fatty acid derivatives and plant growth regulators SHISEIDO COMPANY, LTD. (JP) 2008-03-25 US disclosed
US-7026489-B2 Ketol fatty acid derivative and plant growth regulating agents SHISEIDO COMPANY, LTD. (JP) 2006-04-11 US disclosed
US-20050202974-A1 Ketol fatty acid derivatives and plant growth regulators IIDA TOSHII (JP) 2005-09-15 US disclosed
US-20040121911-A1 Ketol fatty acid derivative and plant growth regulators IIDA TOSHII (JP) 2004-06-24 US disclosed
EP-1277756-B1 KETOL FATTY ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS SHISEIDO CO LTD (JP) 2004-03-03 EP disclosed
EP-1277756-A1 KETOL FATTY ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS SHISEIDO COMPANY LIMITED (JP) 2003-01-22 EP 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-20050202974-A1 Ketol fatty acid derivatives and plant growth regulators ACSL1, ACSL6, ACSL3 TSHR 1588/4885ALDH1A1 2132/4885TRPV1 3385/4885
US-20040121911-A1 Ketol fatty acid derivative and plant growth regulators ACSL1, ACSL6, ACSL5 TSHR 2208/4885ALDH1A1 2069/4885TRPV1 3848/4885

“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.