SCHEMBL21547100

SCHEMBL21547100

CC(C)(C)c1ccc2c3ccccc3n(-c3ccc(-c4cccc(C#N)c4)c(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3C(F)(F)F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ MAT2A P31153 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ PRF1 P14222 1/20 0.32
▸ SGK1 O00141 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL22761287 0.96 PTGDR2 (0.37) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL22761286 0.95 PTGDR2 (0.36) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL21547045 0.93 KIF11 (0.39) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL22760854 0.91 PTGDR2 (0.38) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL21546524 0.90 ENPP1 (0.37) PTGDR2PTPN5ENPP1MAT2APDK2
SCHEMBL22760860 0.90 PTGDR2 (0.39) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL22761213 0.89 PDK2 (0.40) PTGDR2PTPN5ENPP1PDK2CETP
SCHEMBL22760862 0.89 PTGDR2 (0.41) PTGDR2PTPN5CNR1CNR2KIF11
SCHEMBL21547170 0.89 ENPP1 (0.35) PTGDR2PTPN5ENPP1MAT2APDK2
SCHEMBL21546521 0.88 ENPP1 (0.37) PTGDR2PTPN5ENPP1MAT2APDK2

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-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
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 — — 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PTGDR2 379/4885PTPN5 4550/4885CNR1 2841/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTGDR2 379/4885PTPN5 4550/4885CNR1 2841/4885

“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.

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