SCHEMBL3749599

SCHEMBL3749599

Cc1ccc(-c2cc(C(F)(F)F)c(C(N)=O)c(Cl)n2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMO O15229 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CASP1 P29466 2/20 0.38
KIF11 P52732 1/20 0.36
PTGES O14684 1/20 0.36
LIMK1 P53667 1/20 0.36
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL830911 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMOKDM4EHPGD
SCHEMBL3753285 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL3749684 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMOKDM4EHPGD
SCHEMBL829581 0.76 NOTUM (0.46) ALDH1A1L3MBTL1KMOKDM4EHPGD
SCHEMBL8303575 0.76 POLB (0.65) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3747109 0.76 KDM4E (0.40) ALDH1A1KDM4EHPGDLMNATSHR
SCHEMBL3752534 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL831013 0.74 KMO (0.45) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL8073401 0.74 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMOAKR1B10AKR1C4
SCHEMBL829626 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMOKDM4EHPGD

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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885L3MBTL1 2518/4885KMO 533/4885

“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.