SCHEMBL4870185

SCHEMBL4870185

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HTT P42858 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RORC P51449 3/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 3/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
CDK2 P24941 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL4865215 0.78 HSD17B10 (0.46) AKR1C3HTTHSD17B10KDM4EMAPT
SCHEMBL27607912 0.76 AKR1C3 (0.59) AKR1C3HSD17B10KDM4EMAPTGAA
SCHEMBL4870195 0.75 CDK2 (0.46) RXRARXRBRXRGHTTHSD17B10
SCHEMBL161228 0.75 G6PD (0.50) RXRARXRBRXRGHTTHSD17B10
Hydrochloric Acid SCHEMBL3071146 0.74 G6PD (0.49) RXRARXRBRXRGHTTHSD17B10
SCHEMBL27286117 0.74 CDK2 (0.41) RXRARXRBRXRGHTTKDM4E
SCHEMBL10937430 0.73 ELANE (0.57) AKR1C3RXRARXRBRXRGMAPT
Hydrochloric Acid SCHEMBL3071144 0.73 G6PD (0.47) RXRARXRBRXRGHTTHSD17B10
SCHEMBL29006785 0.73 AKR1C2 (0.40) RXRARXRBRXRGHSD17B10KDM4E
SCHEMBL29721858 0.73 AKR1C2 (0.40) RXRARXRBRXRGHSD17B10KDM4E

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 AKR1C3 689/4885RXRA 1225/4885RXRB 893/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 AKR1C3 937/4885RXRA 587/4885RXRB 493/4885

“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.