SCHEMBL3752590

SCHEMBL3752590

Cc1ccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.36
CTSA P10619 1/20 0.35
ERN1 O75460 2/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL3747547 0.91 MEN1 (0.40) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL8218294 0.82 LMNA (0.46) ALDH1A1KDM4EHPGDKMT2AERN1
SCHEMBL3753774 0.81 RORB (0.40) KMT2A
SCHEMBL3745600 0.81 KMO (0.47) KMOALDH1A1CTSASCN9AMAPT
SCHEMBL3750086 0.80 KMT2A (0.44) HPGDKMT2ASCN9ALMNAADRB2
SCHEMBL3752842 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL3745406 0.79 KDM1A (0.42) KMOKDM4EHPGDKMT2ALMNA
SCHEMBL3752970 0.78 KMO (0.46) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL3753486 0.78 XDH (0.41) ALDH1A1KDM4EHPGDSCN9AMAPT
SCHEMBL3749589 0.77 PDCD1LG2 (0.35) KMOALDH1A1CTSAERN1LMNA

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-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
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 KMO 533/4885ALDH1A1 1855/4885KDM4E 1949/4885

“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.