SCHEMBL2129283

SCHEMBL2129283

COCOc1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
FKBP1A P62942 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL12855509 0.84 KMT2A (0.45) KMT2AMEN1RXRARXRBRAB9A
SCHEMBL3589633 0.83 NQO1 (0.50) KDM4E
SCHEMBL30983636 0.83 ADRB2 (0.43)
SCHEMBL19487039 0.83 FFAR1 (0.36) KMT2AMEN1RXRARXRB
SCHEMBL12259611 0.82 ALDH1A1 (0.57) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL23236719 0.81 NQO1 (0.46) KMT2AMEN1RXRARXRBRAB9A
SCHEMBL8478090 0.81 FFAR1 (0.37) L3MBTL1
SCHEMBL28841845 0.81 FFAR1 (0.37) KMT2AMEN1L3MBTL1
SCHEMBL801701 0.81 MEN1 (0.53) KMT2AMEN1RXRARXRBRAB9A
SCHEMBL7609582 0.81 ELANE (0.43) POLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210063875-A1 SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-04 US disclosed
US-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-17 US disclosed
US-20200363720-A1 SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-11-19 US disclosed
US-20170329219-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-16 US disclosed
WO-2017005137-A1 QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF 吉林大学 2017-01-12 WO disclosed
CN-102471355-B Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN PHARMACEUTICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2015-07-23 US disclosed
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
CN-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
EP-0663393-B1 3-Amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2000-07-05 EP disclosed
US-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
EP-0663393-A1 Novel 3-amino/hydroxy-4- 4-benzoylphenylcarboxylamino/oxy -azepanes and their homologies as protein kinase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 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 (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-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY RARB, RARA, RARG KMT2A 4466/4885MEN1 4851/4885RXRA 5/4885
US-20150203489-A1 TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF DPYD, TYMP, RRM2B KMT2A 2312/4885MEN1 3121/4885RXRA 348/4885
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 KMT2A 3542/4885MEN1 1167/4885RXRA 2299/4885
US-20210063875-A1 SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN REN, SLC11A2, BACH1 KMT2A 2621/4885MEN1 2148/4885RXRA 3262/4885
US-20200363720-A1 SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN REN, SLC11A2, NHERF1 KMT2A 2908/4885MEN1 2576/4885RXRA 3198/4885

“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.