SCHEMBL11969736

SCHEMBL11969736

CC(C)(O)C(C)(C)OB(O)c1ccc2[nH]c3ccc(-c4ccccc4)cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRA6 Q16445 4/20 0.45
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
GABRA4 P48169 1/20 0.38
NR4A2 P43354 1/20 0.36
CDC42 P60953 1/20 0.35
MGLL Q99685 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KIF11 P52732 2/20 0.34
JAK2 O60674 1/20 0.33
FDPS P14324 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL11969988 0.87 KIF11 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15225532 0.81 MGLL (0.47) MGLLCA1CA2MAPT
SCHEMBL14830420 0.80 MGLL (0.51) MGLLCA1CA2
SCHEMBL535000 0.80 KIF11 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
Boric Acid SCHEMBL27896971 0.78 KIF11 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16394799 0.77 MGLL (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3455207 0.76
SCHEMBL1191660 0.75 MGLL (0.36) MGLLCA1CA2
SCHEMBL11969992 0.74 KIF11 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8892 0.72 ATM (0.36) NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3460024-B1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, AND ORGANIC PHOTOELECTRIC DEVICE COMPRISING SAME CHEIL IND INC (KR) 2021-04-28 EP disclosed
EP-3460024-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, AND ORGANIC PHOTOELECTRIC DEVICE COMPRISING SAME Cheil Industries Inc. (KR) 2019-03-27 EP disclosed
EP-2497811-B1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, AND ORGANIC PHOTOELECTRIC DEVICE COMPRISING SAME CHEIL IND INC (KR) 2018-12-19 EP disclosed
US-9478755-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2016-10-25 US disclosed
US-9450193-B2 Compound for organic photoelectric device and organic photoelectric device including the same SAMSUNG SDI CO., LTD. (KR) 2016-09-20 US disclosed
US-20150069368-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-03-12 US disclosed
US-8828561-B2 Compound for organic photoelectric device and organic photoelectric device including the same CHEIL INDUSTRIES, INC. (KR) 2014-09-09 US disclosed
US-20140231779-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME KIM HYUNG-SUN (KR) 2014-08-21 US disclosed
US-20120305900-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2012-12-06 US disclosed
EP-2497811-A2 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, AND ORGANIC PHOTOELECTRIC DEVICE COMPRISING SAME Cheil Industries Inc. (KR) 2012-09-12 EP disclosed
US-20120211736-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2012-08-23 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-20120305900-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, PIEZO1, CRY1 GABRA1 2435/4885GABRG2 2201/4885GABRB3 2550/4885
US-20120211736-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE AND ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME PPOX, PIEZO1, CRY1 GABRA1 2435/4885GABRG2 2201/4885GABRB3 2550/4885

“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.