SCHEMBL4601899

SCHEMBL4601899

COc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.61
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 1/20 0.60
PLA2G2A P14555 4/20 0.55
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4601004 0.90 KDM4E (0.67) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29290339 0.88 DHODH (0.73) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4602311 0.84 KDM4E (0.62) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4601628 0.83 KDM4E (0.56) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4603041 0.83 EPRS1 (0.63) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL116058 0.82 DHODH (0.71) DHODHKDM4EHSD17B10PLA2G2AALDH1A1
SCHEMBL4602196 0.81 KDM4E (0.71) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6309512 0.81 DHODH (0.73) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL28576456 0.81 DHODH (0.69) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1896811 0.81 DHODH (0.72) DHODHKDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R DHODH 3439/4885KDM4E 2399/4885SMN1; SMN2 3867/4885

“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.