SCHEMBL2123308

SCHEMBL2123308

CCOC(=O)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 2/20 0.47
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
SRD5A2 P31213 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL16595486 0.95 MAPT (0.47) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL21636260 0.91 MAPT (0.49) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL859597 0.84 CES2 (0.60) MAPTALDH1A1SRD5A2EPHX2MEN1
SCHEMBL11486382 0.83 MAPT (0.48) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11489326 0.83 MAPT (0.48) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL571045 0.81 CA12 (0.63) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL21636244 0.81 MAPT (0.53) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL167161 0.81 CES2 (0.60) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL1686313 0.80 MAPT (0.61) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5820370 0.80 MAPT (0.46) MAPTLMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105663123-A Application of tebufenpyrad structure containing compound to preparation of Ebola virus infection resisting medicines 中国科学院微生物研究所 2016-06-15 CN disclosed
US-9150723-B2 Curable resin composition THREE BOND FINE CHEMICAL CO., LTD. (JP) 2015-10-06 US disclosed
US-20140329926-A1 CURABLE RESIN COMPOSITION THREE BOND FINE CHEMICAL CO., LTD (JP) 2014-11-06 US disclosed
EP-2792694-A1 CURABLE RESIN COMPOSITION Three Bond Fine Chemical Co., Ltd. (JP) 2014-10-22 EP disclosed
US-RE44613-E1 N-substituted glycine derivatives: hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
EP-2444391-B1 BASE AND RADICAL GENERATOR, COMPOSITION USING SAME AND METHOD FOR CURING SAME THREE BOND CO LTD (JP) 2013-11-06 EP disclosed
EP-2444391-A1 BASE AND RADICAL GENERATOR, COMPOSITION USING SAME AND METHOD FOR CURING SAME THREE BOND CO., LTD. (JP) 2012-04-25 EP disclosed
US-20120095124-A1 BASE AND RADICAL GENERATOR, COMPOSITION USING SAME AND METHOD FOR CURING SAME THREE BOND CO., LTD. (JP) 2012-04-19 US disclosed
US-7608621-B2 Such as n-{[2-[(4-bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine; anemia; increasing erythropoietin production SMITHKLINE BEECHAM, CORP. (US) 2009-10-27 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-4150148-A NITROSUBSTITUTED WILLIAM H. RORER, INC. (US) 1979-04-17 US disclosed
US-4120889-A Cyano ethynylbenzene compounds WILLIAM H. RORER, INC. (US) 1978-10-17 US disclosed
US-4120885-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1978-10-17 US disclosed
US-4105786-A ANTIINFLAMMATORY WILLIAM H. RORER, INC. (US) 1978-08-08 US disclosed
US-4101591-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1978-07-18 US disclosed
US-4096279-A Ethynylbenzene compounds and derivatives thereof in the treatment of pain fever and inflammation WILLIAM H. RORER, INC. (US) 1978-06-20 US disclosed
US-4094995-A ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION WILLIAM H. RORER, INC. (US) 1978-06-13 US disclosed
US-4093737-A Ethynylbenzene compounds and derivatives thereof in the treatment of pain, fever or inflammation WILLIAM H. RORER, INC. (US) 1978-06-06 US disclosed
US-4075354-A ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF FOR TREATING PAIN FEVER AND INFLAMMATION WILLIAM H. RORER, INC. (US) 1978-02-21 US disclosed
US-3981932-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1976-09-21 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-20120095124-A1 BASE AND RADICAL GENERATOR, COMPOSITION USING SAME AND METHOD FOR CURING SAME SRM, ARG2, SQOR MAPT 4266/4885LMNA 1871/4885NPC1 4855/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 MAPT 4871/4885LMNA 2272/4885NPC1 3356/4885

“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.