SCHEMBL7950463

SCHEMBL7950463

CCC=CCCc1cccc(C(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
HMGB1 P09429 1/20 0.45
BID P55957 3/20 0.42
BCL2L1 Q07817 3/20 0.42
MCL1 Q07820 3/20 0.42
BAK1 Q16611 3/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
MMP2 P08253 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
ECE1 P42892 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
MUS81 Q96NY9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL18604012 1.00 G6PD (0.47) G6PDCASP7CASP6HMGB1BID
SCHEMBL2817104 0.84 FOLH1 (0.54) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL2817110 0.84 FOLH1 (0.54) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL16240898 0.84 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL31354821 0.84 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL23748665 0.84 HMGB1 (0.43) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL235534 0.84 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL8395993 0.84 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL5135887 0.81 G6PD (0.56) G6PDCASP7CASP6HMGB1BID
SCHEMBL2770203 0.80 MRGPRX4 (0.45) HMGB1BIDBCL2L1MCL1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173230-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-05-30 US disclosed
US-11639484-B2 Perfume compositions GIVAUDAN SA (CH) 2023-05-02 US disclosed
US-20170073614-A1 Perfume Compositions GIVAUDAN SA (CH) 2017-03-16 US disclosed
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 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 (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-20240173230-A1 FRAGRANCE COMPOSITION FABP2, FABP5, FAAH2 G6PD 1722/4885CASP7 4011/4885CASP6 4170/4885

“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.