SCHEMBL13010044

SCHEMBL13010044

CCCCCCCNC(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 1.00
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
ALDH1A1 P00352 1/20 0.75
POLB P06746 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
CA3 P07451 2/20 0.64
CA5A P35218 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
CA12 O43570 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
MLYCD O95822 1/20 0.54
CASP2 P42575 1/20 0.53
FAAH O00519 5/20 0.50
CES1 P23141 4/20 0.50

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
SCHEMBL7716931 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10683800 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10685206 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL5057808 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL11475528 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10688529 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10690536 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL1389225 0.98 EPHX1 (0.96) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL2736707 0.91 EPHX1 (0.84) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7545639 0.89 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB

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-20190077726-A1 METHODS OF SYNTHESIZING LABELED NUCLEOSIDES SINGULAR GENOMICS SYSTEMS INC (US) 2019-03-14 US disclosed
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS, INC. (US) 2017-12-14 US disclosed
US-20100317714-A1 COMPLEX MOLECULE INTERFERING THE EXPRESSION OF TARGET GENES AND ITS PREPARING METHODS SUZHOU RIBO LIFE SCIENCE CO., LTD (CN) 2010-12-16 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 (3 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-20190077726-A1 METHODS OF SYNTHESIZING LABELED NUCLEOSIDES NUDT1, DUT, PNP EPHX1 1504/4885MEN1 2668/4885KMT2A 2754/4885
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, GALNT1, GALNT6 EPHX1 4222/4885MEN1 2964/4885KMT2A 1653/4885
US-20100317714-A1 COMPLEX MOLECULE INTERFERING THE EXPRESSION OF TARGET GENES AND ITS PREPARING METHODS DCLRE1B, RNASE1, AGO2 EPHX1 2667/4885MEN1 1287/4885KMT2A 1397/4885

“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.