SCHEMBL3758404

SCHEMBL3758404

CC(C)(C)OC(=O)c1cc(F)c(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORB Q92753 11/20 0.43
RORC P51449 5/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSA P10619 2/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL3747102 0.90 NTRK1 (0.39) KDM4EHTTSMN1; SMN2CTSAMAPT
SCHEMBL3747116 0.88 RORB (0.46) RORBRORCKDM4EHTTSMN1; SMN2
SCHEMBL3749628 0.84 RORB (0.43) RORBRORCSMN1; SMN2MAPTALDH1A1
SCHEMBL8210635 0.81 SLC16A3 (0.43) RORBRORCSMN1; SMN2CTSAMAPT
SCHEMBL3753412 0.78 DHODH (0.42) CTSAKMT2A
SCHEMBL8212696 0.76 NTRK1 (0.38) RORCKDM4EHTTSMN1; SMN2CTSA
SCHEMBL13054041 0.76 AKR1C2 (0.44) CTSAMAPTALDH1A1NPSR1
SCHEMBL3759594 0.74 RORB (0.48) RORBRORCKDM4ESMN1; SMN2MAPT
SCHEMBL3759627 0.72 APP (0.41) KDM4EMAPTMEN1KMT2ARXRA
SCHEMBL3763489 0.72 CTSA (0.44) HTTCTSAMAPTALDH1A1NPSR1

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 RORB 3281/4885RORC 3288/4885KDM4E 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.