SCHEMBL1614645

SCHEMBL1614645

C#CC(C)(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 4/20 0.47
CYP3A5 P20815 2/20 0.45
KCNA5 P22460 3/20 0.45
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1829355 0.85 CYP19A1 (0.50) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL29138449 0.81 CYP19A1 (0.50) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL30048933 0.81 CYP19A1 (0.50) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL6090239 0.81 CYP19A1 (0.49) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL17974816 0.80 KCNA5 (0.47) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL2423712 0.78 CYP19A1 (0.55) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL9547408 0.78 CYP19A1 (0.55) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL3021832 0.78 CYP19A1 (0.55) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL1375896 0.78 CYP19A1 (0.55) CYP3A4CYP1A2LMNACYP11B1CYP11B2
SCHEMBL29896215 0.78 CYP19A1 (0.55) CYP3A4CYP1A2LMNACYP11B1CYP11B2

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
CN-108291307-B Plating bath composition and method for electroless plating of palladium 埃托特克德国有限公司 2020-02-14 CN claimed
US-10513780-B2 Plating bath composition and method for electroless plating of palladium ATOTECH DEUTSCHLAND GMBH (DE) 2019-12-24 US claimed
EP-3380649-B1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH DEUTSCHLAND GMBH (DE) 2019-10-30 EP claimed
US-20180340260-A1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH DEUTSCHLAND GMBH & CO. KG (F/K/A ATOTECH DEUTSCHLAND GMBH) (DE) 2018-11-29 US claimed
EP-3380649-A1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH Deutschland GmbH (DE) 2018-10-03 EP claimed
CN-111138422-B Medicine for preventing and treating lupus erythematosus and preparation method thereof 牡丹江医学院 2020-11-17 CN disclosed
CN-111138422-A Medicine for preventing and treating lupus erythematosus and preparation method thereof 牡丹江医学院 2020-05-12 CN disclosed
CN-108291307-B Plating bath composition and method for electroless plating of palladium 埃托特克德国有限公司 2020-02-14 CN disclosed
US-10513780-B2 Plating bath composition and method for electroless plating of palladium ATOTECH DEUTSCHLAND GMBH (DE) 2019-12-24 US disclosed
EP-3380649-B1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH DEUTSCHLAND GMBH (DE) 2019-10-30 EP disclosed
US-20180340260-A1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH DEUTSCHLAND GMBH & CO. KG (F/K/A ATOTECH DEUTSCHLAND GMBH) (DE) 2018-11-29 US disclosed
EP-3380649-A1 PLATING BATH COMPOSITION AND METHOD FOR ELECTROLESS PLATING OF PALLADIUM ATOTECH Deutschland GmbH (DE) 2018-10-03 EP disclosed
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP3A4 1722/4885CYP1A2 1211/4885LMNA 2505/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CYP3A4 2161/4885CYP1A2 1383/4885LMNA 2017/4885

“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.