SCHEMBL4865215

SCHEMBL4865215

Nc1c(C(=O)O)ccc(C(F)(F)F)c1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
HTT P42858 2/20 0.46
AKR1C3 P42330 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
SRD5A2 P31213 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4849045 0.84 AKR1C3 (0.44) HSD17B10AKR1C3KDM4EMAPTGAA
SCHEMBL27607912 0.80 AKR1C3 (0.59) HSD17B10AKR1C3KDM4EMAPTGAA
SCHEMBL4870185 0.78 AKR1C3 (0.41) HSD17B10HTTAKR1C3KDM4EMAPT
SCHEMBL3824173 0.76 FABP4 (0.54) HSD17B10KDM4EMAPTGAAALDH1A1
SCHEMBL5056827 0.76 AKR1C3 (0.48) HSD17B10AKR1C3KDM4EMAPTGAA
SCHEMBL27486586 0.75 AKR1C3 (0.49) HTTAKR1C3MAPTGAAALDH1A1
SCHEMBL11593170 0.75 AKR1C3 (0.62) HSD17B10AKR1C3KDM4EMAPTGAA
SCHEMBL9274274 0.75 ALDH1A1 (0.47) HSD17B10KDM4EMAPTGAAALDH1A1
SCHEMBL1124058 0.74 MAPT (0.53) HSD17B10HTTAKR1C3MAPTGAA
SCHEMBL2477406 0.73 TAS2R14 (0.48) HSD17B10KDM4EALDH1A1MEN1KMT2A

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-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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 (2 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 HSD17B10 612/4885HTT 2032/4885AKR1C3 689/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 HSD17B10 646/4885HTT 1675/4885AKR1C3 937/4885

“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.