SCHEMBL19458652

SCHEMBL19458652

CCCC(Cl)C/C=C\CCCCCCC(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TRPV1 Q8NER1 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
FAAH O00519 4/20 0.32

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
SCHEMBL10390188 0.81 FAAH (0.42) FFAR1FFAR4TRPV1FAAH
SCHEMBL10390187 0.81 FAAH (0.42) FFAR1FFAR4TRPV1FAAH
SCHEMBL34463873 0.81 FAAH (0.47) FFAR1FFAR4TRPV1FAAH
SCHEMBL28851132 0.81 FAAH (0.38) FFAR1FFAR4TRPV1FAAH
SCHEMBL26650545 0.80 FAAH (0.41) FFAR1FFAR4TRPV1FAAH
SCHEMBL24673406 0.78 CNR1 (0.34) FFAR1FFAR4TRPV1FAAH
SCHEMBL19458671 0.78 FAAH (0.33) FFAR1FFAR4TRPV1FAAH
SCHEMBL29992243 0.78 CNR1 (0.34) FFAR1FFAR4TRPV1FAAH
SCHEMBL19458798 0.78 FAAH (0.33) FFAR1FFAR4TRPV1FAAH
SCHEMBL19458703 0.78 FAAH (0.33) FFAR1FFAR4TRPV1FAAH

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
CN-107304163-B Method for producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate for use in said method 信越化学工业株式会社 2020-12-25 CN disclosed
EP-3235798-B1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-11-07 EP disclosed
US-10040742-B2 Method of producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-08-07 US disclosed
EP-3235798-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR Shin-Etsu Chemical Co., Ltd. (JP) 2017-10-25 EP disclosed
US-20170297987-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-10-19 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-20170297987-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR ALDH7A1, ALDH16A1, FAR1 FFAR1 287/4885FFAR4 131/4885TRPV1 2388/4885
US-10040742-B2 Method of producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate therefor ALDH7A1, ALDH16A1, FAR1 FFAR1 287/4885FFAR4 131/4885TRPV1 2388/4885

“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.