SCHEMBL22760787

SCHEMBL22760787

Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.41
▸ CYP1A2 P05177 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ PTPN5 P54829 1/20 0.34

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
SCHEMBL22760786 0.96 AR (0.38) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760837 0.96 SYK (0.39) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760858 0.94 PDK2 (0.37) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22761217 0.94 PDK2 (0.41) CYP1A2ALDH1A1SYKPDK2CYP3A4
SCHEMBL21547177 0.93 ENPP1 (0.35) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760840 0.93 SYK (0.37) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22761272 0.92 PDK2 (0.34) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22760788 0.92 AR (0.41) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22761194 0.92 PDK2 (0.39) CYP1A2ALDH1A1SYKPDK2CYP3A4
SCHEMBL21546523 0.91 PDK2 (0.41) CYP1A2ALDH1A1LMNATP53CYP2C9

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
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 — — US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 — — 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM AR 4523/4885CYP1A2 512/4885ALDH1A1 45/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM AR 4523/4885CYP1A2 512/4885ALDH1A1 45/4885

“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.

Send feedback