SCHEMBL3583487

SCHEMBL3583487

CC(O)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2C9 P11712 2/20 0.61
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
NR3C2 P08235 1/20 0.48
KCNA5 P22460 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
FDPS P14324 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.44
HIF1A Q16665 3/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL11211304 1.00 CYP2C19 (0.61) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL17775050 0.95 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL11853018 0.86 KCNA5 (0.49) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL3836889 0.86 KMT2A (0.53) CYP2C19CYP1A2CYP2C9SLC6A2LMNA
Hydrochloric Acid SCHEMBL11851894 0.85 KCNA5 (0.47) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL30887388 0.83 KMT2A (0.62) CYP2C19CYP1A2CYP2C9LMNAKMT2A
SCHEMBL17775053 0.82 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL19994154 0.82 KCNA5 (0.71) CYP2C19CYP1A2CYP2C9LMNAKCNA5
SCHEMBL4995667 0.82 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL6580099 0.78 CYP2C19 (0.57) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-20040253532-A1 Modified alginic acid of alginic acid derivatives and thermosetting anti-reflective compositions thereof MERCK PATENT GMBH (DE) 2004-12-16 US claimed
US-5739250-A ONE STEP COPOLYMERIZATION WITHOUT ISOLATING THE INTERMEDIATE PREPOLYMER, CHAIN EXTENSION TO ELIMINATE VOLATILE MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US claimed
CN-107108482-B Chemical blowing agent and thermally expandable thermoplastic composition SIKA技术股份公司 2020-07-14 CN disclosed
EP-3233790-B1 CHEMICAL BLOWING AGENT AND THERMALLY EXPANDABLE THERMOPLASTIC COMPOSITION SIKA TECH AG (CH) 2019-06-26 EP disclosed
US-20170342230-A1 CHEMICAL BLOWING AGENT AND THERMALLY EXPANDABLE THERMOPLASTIC COMPOSITION SIKA TECHNOLOGY AG (CH) 2017-11-30 US disclosed
CN-107108482-A The thermoplastic compounds of CBA and heat-swellable SIKA技术股份公司 2017-08-29 CN disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-7485413-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2009-02-03 US disclosed
US-7476488-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2009-01-13 US disclosed
US-4908418-A Polyarylate, polyetherimide, thermoplastic polymer GENERAL ELECTRIC COMPANY (US) 1990-03-13 US disclosed
US-4871872-A 2-[(2-aminoacetyl)amino]acetamide derivatives FISONS CORPORATION (US) 1989-10-03 US disclosed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP disclosed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO disclosed
EP-0279937-A1 2-Aminoacetamide derivatives FISONS CORPORATION (US) 1988-08-31 EP disclosed
EP-0278089-A2 2-Azacyclocarboxamide derivatives FISONS CORPORATION (a Massachusetts corporation) (US) 1988-08-17 EP disclosed
EP-0117326-A1 Polyetherimide-polyarylate blends GENERAL ELECTRIC COMPANY (US) 1984-09-05 EP disclosed
EP-0117327-A1 Ternary polymer blends GENERAL ELECTRIC COMPANY (US) 1984-09-05 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 (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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG CYP2C19 998/4885CYP1A2 169/4885CYP2C9 1071/4885
US-20170342230-A1 CHEMICAL BLOWING AGENT AND THERMALLY EXPANDABLE THERMOPLASTIC COMPOSITION TAF1, TAF5, TAF9 CYP2C19 3691/4885CYP1A2 3657/4885CYP2C9 3742/4885

“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.