SCHEMBL19909303

SCHEMBL19909303

Cc1cc(-c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c(C#N)c(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 9/20 0.38
NPSR1 Q6W5P4 5/20 0.38
HPGD P15428 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHODH Q02127 1/20 0.34
KIF11 P52732 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSNK1D P48730 3/20 0.32
CSNK1G2 P78368 2/20 0.32

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
SCHEMBL19913301 0.91 ALDH1A1 (0.38) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL19909192 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL19909302 0.88 PDE10A (0.37) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL23296385 0.85 LMNA (0.36) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL19909304 0.85 KIF11 (0.44) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL21840875 0.84 KIF11 (0.37) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL21414203 0.84 KIF11 (0.41) ALDH1A1KDM4ENPSR1DHODHKIF11
SCHEMBL20279003 0.84 HTR1D (0.35) ALDH1A1KDM4ENPSR1SMN1; SMN2HTT
SCHEMBL29566477 0.84 HTR1D (0.35) ALDH1A1KDM4ENPSR1SMN1; SMN2HTT
SCHEMBL22156390 0.83 KCNH2 (0.35) ALDH1A1KDM4ENPSR1DHODHKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885KDM4E 4526/4885NPSR1 876/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ALDH1A1 882/4885KDM4E 3845/4885NPSR1 3075/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885KDM4E 4526/4885NPSR1 876/4885

“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.