SCHEMBL3499415

SCHEMBL3499415

CCOC(=O)CCc1ccc(CO)cc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.56
CYP4A11 Q02928 5/20 0.56
RXRG P48443 1/20 0.42
CYP4Z1 Q86W10 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL7522054 0.89 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL16188852 0.87 CYP4F2 (0.50) CYP4F2CYP4A11RXRGCYP4Z1ALDH1A1
SCHEMBL27989066 0.86 CYP4F2 (0.49) CYP4F2CYP4A11RXRGCYP4Z1ALDH1A1
SCHEMBL26307337 0.85 CYP4F2 (0.63) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL17748493 0.85 CYP4F2 (0.48) CYP4F2CYP4A11RXRGCYP4Z1ALDH1A1
SCHEMBL3906109 0.84 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAPKM
SCHEMBL435614 0.82 CHRNA7 (0.55) CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL146903 0.82 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL30434824 0.82 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA
SCHEMBL28849656 0.82 CYP4F2 (0.54) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA

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
WO-2014169817-A1 PHENYLALANINE COMPOUND HAVING NITROGEN HETEROCYCLIC LINK, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-10-23 WO disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 CYP4F2 2033/4885CYP4A11 588/4885RXRG 541/4885

“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.