SCHEMBL17899795

SCHEMBL17899795

C/N=C(\C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 1/20 0.57
CES2 O00748 2/20 0.56
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 3/20 0.49
SRD5A2 P31213 1/20 0.47
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL30112938 0.85 KMT2A (0.62) KMT2AMEN1GAACES2HTT
SCHEMBL7797181 0.85 KMT2A (0.62) KMT2AMEN1GAACES2HTT
SCHEMBL15295774 0.85 KMT2A (0.62) KMT2AMEN1GAACES2HTT
SCHEMBL3628848 0.85 KMT2A (0.62) KMT2AMEN1GAACES2HTT
SCHEMBL7255042 0.84 KMT2A (0.60) KMT2AMEN1GAACES2HTT
SCHEMBL7255041 0.84 KMT2A (0.60) KMT2AMEN1GAACES2HTT
SCHEMBL22952488 0.82 KMT2A (0.59) KMT2AMEN1GAACES2HTT
SCHEMBL6819302 0.81 KMT2A (0.57) KMT2AMEN1GAACES2HTT
SCHEMBL6819739 0.81 KMT2A (0.57) KMT2AMEN1GAACES2HTT
SCHEMBL29778306 0.81 KMT2A (0.57) KMT2AMEN1GAACES2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649204-B2 Process for the preparation of trifloxystrobin HIKAL LIMITED (IN) 2023-05-16 US disclosed
EP-3040073-B1 APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS SINOCHEM CORP (CN) 2020-07-08 EP disclosed
US-9895346-B2 Applications of substituent benzyloxy group containing ether compounds for preparing antitumor drugs SINOCHEM CORPORATION (CN) 2018-02-20 US disclosed
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2017-10-19 US disclosed
EP-3040073-A1 APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS Sinochem Corporation (CN) 2016-07-06 EP 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-11649204-B2 Process for the preparation of trifloxystrobin CYP3A7, CYP51A1, TREH KMT2A 4049/4885MEN1 3130/4885GAA 22/4885
US-20170296508-A1 Applications of Substituent Benzyloxy Group Containing Ether Compounds for Preparing Antitumor Drugs H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, TPD52L2 KMT2A 1368/4885MEN1 1507/4885GAA 4031/4885

“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.