SCHEMBL3197628

SCHEMBL3197628

CCCC/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
FFAR4 Q5NUL3 2/20 0.56
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
FAAH O00519 4/20 0.48
TRPV1 Q8NER1 1/20 0.45
GPR84 Q9NQS5 3/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL811312 1.00 FFAR1 (0.56) FFAR1FFAR4F7F3FAAH
SCHEMBL24450560 0.96 FFAR1 (0.60) FFAR1FFAR4FAAHTRPV1GPR84
SCHEMBL2933857 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL1070641 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL17743910 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL2826342 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL17744144 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL10081525 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH
SCHEMBL811332 0.93 FFAR1 (0.57) FFAR1FFAR4FAAHTRPV1GPR84
SCHEMBL6008572 0.93 FFAR1 (0.62) FFAR1FFAR4F7F3FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207313-B2 Natural products from Vinca WILLIAM MARSH RICE UNIVERSITY (US) 2012-06-26 US disclosed
US-20100048494-A1 Natural Products from Vinca RICE UNIVERSITY (US) 2010-02-25 US disclosed
WO-2008101238-A2 NATURAL PRODUCTS FROM VINCA RICE UNIVERSITY (US) 2008-08-21 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-20100048494-A1 Natural Products from Vinca HIRA, RDX, SLC22A8 FFAR1 3698/4885FFAR4 4057/4885F7 4045/4885

“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.