SCHEMBL2397949

SCHEMBL2397949

C=CC[C@H](O)CCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 2/20 0.52
GPR84 Q9NQS5 8/20 0.48
TSHR P16473 1/20 0.44
FAAH O00519 3/20 0.44
SPHK1 Q9NYA1 1/20 0.42
PSMD14 O00487 2/20 0.42
PLA2G1B P04054 2/20 0.42
MMP2 P08253 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9334962 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL11748318 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL9200158 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL1712736 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL1712990 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL910534 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL9685588 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL9685329 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL7065643 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH
SCHEMBL9200169 1.00 FFAR1 (0.52) FFAR1FFAR4GPR84TSHRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816095-B2 Na channels, disease, and related assays and compositions GEORGETOWN UNIVERSITY (US) 2014-08-26 US disclosed
US-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS GEORGETOWN UNIVERSITY (US) 2011-09-22 US disclosed
US-4983766-A Chemical intermediates for optically active secondary alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-08 US disclosed
US-4812476-A SECONDARY ALCOHOLS FROM ALDEHYDE AND 3-HYDROXYBUTYRIC ACID IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 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 (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-20110230442-A1 NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS CACNA1C, CACNA1B, CACNA1A FFAR1 2112/4885FFAR4 2718/4885GPR84 495/4885

“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.