SCHEMBL68086

SCHEMBL68086

O=C1c2ccccc2OCC1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.59
MAOB P27338 2/20 0.54
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
HTR1A P08908 1/20 0.42
RET P07949 1/20 0.41
KDR P35968 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
SCHEMBL7241604 1.00 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL18415628 0.78 CYP19A1 (0.61) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL7294129 0.78 CYP19A1 (0.56) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL28540353 0.78 MAOA (0.53) CYP19A1MAOB
SCHEMBL768947 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL15147097 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL2381366 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL20165977 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1
SCHEMBL14395262 0.77 CYP19A1 (0.42) CYP19A1MAOBPKMTSHR
SCHEMBL6592452 0.77 CYP19A1 (0.59) CYP19A1MAOBPKMTSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022165402-A1 INHIBITORS OF PROTEIN KINASE A BLUEPRINT MEDICINES CORPORATION (US) 2022-08-04 WO disclosed
US-20170022165-A1 PQSR MODULATORS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2017-01-26 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
EP-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 EP disclosed
US-20140206682-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2014-07-24 US disclosed
US-20140206682-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2014-07-24 US disclosed
US-20140206682-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2014-07-24 US disclosed
EP-2751107-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS IRM LLC (BM) 2014-07-09 EP disclosed
WO-2013033620-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
EP-1944173-A1 Ink composition and inkjet recording method using the same FUJIFILM Corporation (JP) 2008-07-16 EP disclosed
EP-1885708-A2 GPCR MODULATORS Board of Trustees of Michigan State University (US) 2008-02-13 EP disclosed
EP-1877093-A2 ASCORBATE BINDING PEPTIDES Board of Trustees of Michigan State University (US) 2008-01-16 EP disclosed
WO-2006113557-A2 GPCR MODULATORS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-10-26 WO disclosed
WO-2006113602-A2 ASCORBATE BINDING PEPTIDES BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-10-26 WO disclosed
US-6531617-B2 Adding an acid halide to a solution of aluminum chloride to form an alkylcarbonyloxy chromanone, which is further reacted with lithium (hydro)peroxide at a temperature of < 0 degrees C MERCK & CO., INC. 2003-03-11 US disclosed
US-20020095047-A1 Process for preparing hydroxychomanones and CIS-aminochromanols MERCK & CO., INC. 2002-07-18 US disclosed
CN-1334720-A Cosmetic skin care compositions contg 4-chromanone UNILEVER NV (NL) 2002-02-06 CN 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 (3 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-20140206682-A1 COMPOUNDS AND COMPOSITIONS AS PDGFR KINASE INHIBITORS PDGFRA, PDGFRB, PDGFA CYP19A1 2495/4885MAOB 2714/4885PKM 378/4885
US-20170022165-A1 PQSR MODULATORS QARS1, SRPRA, MRPS35 CYP19A1 3517/4885MAOB 3937/4885PKM 1619/4885
US-20020095047-A1 Process for preparing hydroxychomanones and CIS-aminochromanols HACL2, HAAO, APEH CYP19A1 158/4885MAOB 290/4885PKM 242/4885

“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.