SCHEMBL2096469

SCHEMBL2096469

CN(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TSHR P16473 2/20 0.65
CYP3A4 P08684 3/20 0.53
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 1/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 3/20 0.45
HTR7 P34969 6/20 0.44
CHKA P35790 1/20 0.43
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
ACHE P22303 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL3433237 0.86 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL12258323 0.84 CHKA (0.50) ALDH1A1TSHRLMNACHKAKDR
Phenol SCHEMBL11244335 0.83 ALDH1A1 (0.87) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL11594419 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4HSD17B1HSD17B2
SCHEMBL9480557 0.79 MEN1 (0.50) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL29616636 0.79 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL43373 0.79 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL2947867 0.79 MEN1 (0.50) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL11569334 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4CA12CA2
Methyl Alcohol SCHEMBL27369418 0.78 CHKA (0.48) ALDH1A1TSHRCA12CA2CA9

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2025-02-27 US disclosed
US-12172998-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2024-12-24 US disclosed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
US-20230189629-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-06-15 US disclosed
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-04-20 US disclosed
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-04-20 US disclosed
EP-4137551-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-02-22 EP disclosed
US-11535616-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2022-12-27 US disclosed
US-11535616-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC (US) 2022-12-27 US disclosed
EP-3453710-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-09-21 EP disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 US disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0005451-A2 Process for the manufacture of cationic oxazinic compounds, the oxazinic compounds and their application to the dyeing and printing of textile materials CIBA-GEIGY AG (CH) 1979-11-28 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 (9 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-20230189629-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF L1CAM, LEF1, PIEZO1 ALDH1A1 645/4885TSHR 4349/4885CYP3A4 999/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ALDH1A1 1457/4885TSHR 3676/4885CYP3A4 3508/4885
US-12172998-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C ALDH1A1 392/4885TSHR 3827/4885CYP3A4 2493/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885TSHR 319/4885CYP3A4 1683/4885
US-11535616-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C ALDH1A1 392/4885TSHR 3827/4885CYP3A4 2493/4885
US-20230117519-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ALDH1A1 392/4885TSHR 3827/4885CYP3A4 2493/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 ALDH1A1 1457/4885TSHR 3676/4885CYP3A4 3508/4885
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 ALDH1A1 4277/4885TSHR 2157/4885CYP3A4 4043/4885
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ALDH1A1 392/4885TSHR 3827/4885CYP3A4 2493/4885

“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.