SCHEMBL21486403

SCHEMBL21486403

COCOc1cc(F)ccc1/C(=C/C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSPO P30536 1/20 0.35
AKR1B1 P15121 1/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL23393330 1.00 EGFR (0.39) EGFRFFAR4MEN1KMT2ANPC1
SCHEMBL21486411 0.91 FFAR4 (0.40) EGFRFFAR4MEN1KMT2ANPC1
SCHEMBL30070727 0.91 FFAR4 (0.40) EGFRFFAR4MEN1KMT2ANPC1
SCHEMBL21483408 0.90 EGFR (0.39) EGFRMEN1KMT2ANPC1LMNA
SCHEMBL21467272 0.90 EGFR (0.39) EGFRMEN1KMT2ANPC1LMNA
SCHEMBL23393425 0.87 NPC1 (0.42) EGFRMEN1KMT2ANPC1LMNA
SCHEMBL23393427 0.87 NPC1 (0.42) EGFRMEN1KMT2ANPC1LMNA
SCHEMBL21486399 0.85 EGFR (0.36) EGFRFFAR4MEN1KMT2ANPC1
SCHEMBL30070868 0.85 EGFR (0.36) EGFRFFAR4MEN1KMT2ANPC1
SCHEMBL21486396 0.83 POLB (0.50) EGFRFFAR4MEN1KMT2ANPC1

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-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
WO-2019196898-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF 中国科学院大连化学物理研究所 2019-10-17 WO 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-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF CHRNB2, ADRB2, CHRNB1 EGFR 1891/4885FFAR4 1070/4885MEN1 3172/4885

“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.