SCHEMBL8917211

SCHEMBL8917211

CCCCCC(O)C=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TRPA1 O75762 1/20 0.50
DDAH1 O94760 1/20 0.50
GAPDH P04406 1/20 0.50
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR84 Q9NQS5 6/20 0.40
SPHK1 Q9NYA1 2/20 0.40
NFKB1 P19838 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10396062 0.98 MAPT (0.48) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL30568786 0.93 ACHE (0.42) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL28777499 0.79 SQLE (0.35) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL1784022 0.79 TRPA1 (0.48) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL1784024 0.79 TRPA1 (0.48) MAPTTRPA1DDAH1GAPDHFFAR1
SCHEMBL7740753 0.78 SQLE (0.41) MAPTFFAR4
SCHEMBL7740751 0.78 SQLE (0.41) MAPTFFAR4
SCHEMBL10743532 0.78 KMT2A (0.45) MAPTTRPA1DDAH1GAPDHCYP3A4
SCHEMBL9250466 0.78 SQLE (0.34)
SCHEMBL943388 0.77 FFAR1 (0.47) MAPTTRPA1DDAH1GAPDHFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591435-A Insecticidal or insect behaviorally active preparations from aromatic plants THE RESEARCH AND DEVELOPMENT INSTITUTE, INC. (US) 1997-01-07 US claimed
CN-113891870-A Selective hydrogenation of alkynols to enols in the presence of phosphorus compounds 帝斯曼知识产权资产管理有限公司 2022-01-04 CN disclosed
CN-113874340-A Selective hydrogenation of alkynes to alkenes in the presence of phosphorus compounds and organic sulfur compounds 帝斯曼知识产权资产管理有限公司 2021-12-31 CN disclosed
EP-3772975-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP Assets B.V. (NL) 2021-02-17 EP disclosed
US-20210030022-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2021-02-04 US disclosed
WO-2019185891-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2019-10-03 WO disclosed
WO-2019185894-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS DSM IP ASSETS B.V. (NL) 2019-10-03 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-20210030022-A1 NOVEL USE OF SUBSTITUTED CHROMAN-6-OLS KMO, FFAR3, ACOX3 MAPT 4768/4885TRPA1 3151/4885DDAH1 2368/4885

“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.