SCHEMBL7523178

SCHEMBL7523178

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
CYP1A2 P05177 1/20 0.39
ACE2 Q9BYF1 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GABRR1 P24046 2/20 0.34
KDM1A O60341 1/20 0.34
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 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
SCHEMBL7524440 1.00 FNTA (0.46) FNTAFNTBCYP1A2ACE2HDAC1
SCHEMBL5157579 1.00 FNTA (0.46) FNTAFNTBCYP1A2ACE2HDAC1
SCHEMBL5157577 1.00 FNTA (0.46) FNTAFNTBCYP1A2ACE2HDAC1
SCHEMBL1784595 0.86 FNTA (0.39) FNTAFNTBHDAC1HDAC2FFAR3
SCHEMBL1784594 0.86 FNTA (0.39) FNTAFNTBHDAC1HDAC2FFAR3
SCHEMBL585712 0.81 FNTA (0.71) FNTAFNTB
SCHEMBL13384296 0.81 CYP1A2 (0.45) FNTAFNTBCYP1A2ACE2GABRR1
SCHEMBL585710 0.81 FNTA (0.71) FNTAFNTB
SCHEMBL30707741 0.79 FNTA (0.74) FNTAFNTB
SCHEMBL13384151 0.78 FNTA (0.49) FNTAFNTBCYP1A2ACE2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components RHODIA CHIREX, INC. 2002-08-29 US disclosed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 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-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components NISCH, FASTKD5, NOTUM FNTA 640/4885FNTB 334/4885CYP1A2 238/4885

“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.