SCHEMBL6315486

SCHEMBL6315486

Cc1ccc(C)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.59
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
BRD9 Q9H8M2 1/20 0.48
THRB P10828 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
SCHEMBL4293579 0.84 CYP1A2 (0.57) NOTUMCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4286769 0.83 CYP1A2 (0.52) NOTUMCYP1A2MEN1KMT2ABRD9
SCHEMBL13471704 0.82 NOTUM (0.65) NOTUMCYP1A2ALDH1A1MAPTHTR3E
SCHEMBL5536954 0.80 NOTUM (0.51) NOTUMCYP1A2ALDH1A1MAPTHTR3E
SCHEMBL561046 0.80 NOTUM (0.68) NOTUMCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL3551003 0.79 KDM4E (0.52) NOTUMCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL14154502 0.79 NOTUM (0.60) NOTUMCYP1A2ALDH1A1MAPTHTR3E
SCHEMBL5758541 0.79 ELANE (0.59) NOTUMCYP1A2MAPTMEN1ALOX15
SCHEMBL17537376 0.78 CYP1A2 (0.58) NOTUMCYP1A2ALDH1A1MAPTMEN1
SCHEMBL17931794 0.78 CYP1A2 (0.57) NOTUMCYP1A2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 NOTUM 4254/4885CYP1A2 4402/4885ALDH1A1 4444/4885

“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.