SCHEMBL3816129

SCHEMBL3816129

C=CCOc1ccc2ccccc2c1OCC=C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
LIG1 P18858 1/20 0.40
MYB P10242 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL26361528 0.89 HPGD (0.52) HPGDGAAPOLBCA12CA1
SCHEMBL5413465 0.85 HPGD (0.49) HPGDGAAPOLBCA12CA1
SCHEMBL20537238 0.81 HPGD (0.51) HPGDGAAPOLBTSHRHSD17B10
SCHEMBL20554922 0.81 HPGD (0.48) HPGDGAAPOLBCA12CA1
SCHEMBL5086985 0.81 HPGD (0.48) HPGDGAAPOLBCA12CA1
SCHEMBL8516834 0.81 HPGD (0.48) HPGDGAAPOLBCA12CA1
SCHEMBL20537239 0.81 HPGD (0.62) HPGDGAAPOLBCA12CA1
SCHEMBL20554560 0.81 HPGD (0.58) HPGDGAAPOLBCA12CA1
SCHEMBL4252855 0.81 HPGD (0.71) HPGDGAAPOLBCA12CA1
SCHEMBL30618849 0.81 HPGD (0.58) HPGDGAAPOLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
CN-106893032-B Aryl cyclobutene 罗门哈斯电子材料有限责任公司 2020-03-31 CN disclosed
EP-3184571-A1 ARYLCYCLOBUTENES Rohm and Haas Electronic Materials LLC (US) 2017-06-28 EP disclosed
US-20170174805-A1 ARYLCYCLOBUTENES DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-22 US disclosed
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
WO-2006107644-A1 COLORANT COMPOUNDS, INTERMEDIATES, AND COMPOSITIONS MILLIKEN & COMPANY (US) 2006-10-12 WO disclosed
US-20060223993-A1 Colorant compounds, intermediates, and compositions MILLIKEN & COMPANY 2006-10-05 US disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 US 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-20060223993-A1 Colorant compounds, intermediates, and compositions AAAS, TST, AADAC HPGD 370/4885GAA 2726/4885POLB 4333/4885
US-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 HPGD 160/4885GAA 1762/4885POLB 441/4885

“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.