SCHEMBL19658348

SCHEMBL19658348

Ic1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP2A6 P11509 1/20 0.46
BACE1 P56817 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
DPP4 P27487 1/20 0.41
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL30913227 1.00 PTGS2 (0.46) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL24882501 0.97 PTGS2 (0.45) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL7649931 0.94 ABL1 (0.42) PTGS2ALDH1A1HSD17B10MAPK1HPGD
Hydrogen Sulfide SCHEMBL27733505 0.89 PTGS2 (0.39) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL6307069 0.85 BACE1 (0.41) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL1032857 0.85 BACE1 (0.41) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL5858555 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1BCL2L1CYP1A2
SCHEMBL45621 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1BCL2L1CYP1A2
Benzene SCHEMBL28609683 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1BCL2L1CYP1A2
SCHEMBL24029558 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1BCL2L1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116349429-A Arylamine compound, organic electroluminescent element, and electronic device 保土谷化学工业株式会社 2023-06-27 CN disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
US-20230010262-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-12 US disclosed
US-20210391548-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2021-12-16 US disclosed
WO-2021129072-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
US-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
US-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-07-11 US disclosed
CN-108475734-A ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 大电株式会社 2018-08-31 CN disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 US disclosed
US-20170346025-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-11-30 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 (5 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-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 PTGS2 1005/4885ALDH1A1 191/4885HSD17B10 1380/4885
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 PTGS2 530/4885ALDH1A1 332/4885HSD17B10 1465/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 PTGS2 530/4885ALDH1A1 332/4885HSD17B10 1465/4885
US-20210391548-A1 ORGANIC LIGHT-EMITTING DEVICE OR51E2, OR10J3, LEF1 PTGS2 3153/4885ALDH1A1 34/4885HSD17B10 3501/4885
US-20170346025-A1 ORGANIC LIGHT-EMITTING DEVICE OR51E2, OR10J3, LEF1 PTGS2 3153/4885ALDH1A1 34/4885HSD17B10 3501/4885

“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.