SCHEMBL12232117

SCHEMBL12232117

c1cncc(-c2ccc(-c3cccnc3)c(-c3nc4ccccc4o3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ TSHR P16473 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL12232118 0.97 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL12232119 0.95 ALDH1A1 (0.64) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL12232090 0.95 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL12232089 0.85 ALDH1A1 (0.69) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL28609450 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL30835009 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2ATSHR
Lithium SCHEMBL30835026 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL12232091 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL19084942 0.83 ALDH1A1 (0.85) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL5833054 0.82 ALDH1A1 (0.68) ALDH1A1HSD17B10MEN1KMT2ATSHR

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-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 — — US disclosed
US-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 — — US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 — — US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 — — US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 — — US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 — — 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 (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-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME PPOX, AOX1, OR10J3 ALDH1A1 14/4885HSD17B10 608/4885MEN1 2132/4885

“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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