SCHEMBL3917565

SCHEMBL3917565

CCCC(C(=O)OCC)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28825960 0.90 TSHR (0.52) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
SCHEMBL8084596 0.87 TSHR (0.57) TSHRALDH1A1NPSR1CYP2D6
SCHEMBL6655480 0.86 ALDH1A1 (0.43) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
SCHEMBL3908306 0.86 SMN1; SMN2 (0.42) TSHRALDH1A1NPSR1L3MBTL1THRB
SCHEMBL4087213 0.85 ALDH1A1 (0.48) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
SCHEMBL18706844 0.85 ALDH1A1 (0.43) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL27351255 0.84 ALDH1A1 (0.47) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
SCHEMBL26828326 0.84 THRB (0.40) TSHRALDH1A1NPSR1THRBSMN1; SMN2
SCHEMBL934442 0.84 ALDH1A1 (0.47) TSHRALDH1A1NPSR1CYP2D6L3MBTL1
SCHEMBL874451 0.83 ALDH1A1 (0.45) TSHRALDH1A1NPSR1L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
CN-101805241-B New method for preparing fluoro-substituted indene compound CHANGZHOU SHENGYONG PHOTOELECTRICITY MATERIALS CO LTD 2012-11-14 CN disclosed
CN-101805241-A New method for preparing fluoro-substituted indene compound CHANGZHOU SHENGYONG PHOTOELECTRICITY MATERIALS CO LTD 2010-08-18 CN disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20050267168-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-20050261371-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2005-11-24 US disclosed
CN-1200703-C Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2005-05-11 CN disclosed
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US disclosed
CN-1083419-C Pentanoic acid derivatives, process for their preparation, pharmaceutical compositions containing them and their use ONO PHARMACEUTICAL CO (JP) 2002-04-24 CN disclosed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN disclosed
US-6201021-B1 TREATMENT OF DISEASES INDUCED BY REACTIVE ASTROCYTES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-03-13 US disclosed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP disclosed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN disclosed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 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 (5 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-20050267168-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 TSHR 50/4885ALDH1A1 1709/4885NPSR1 142/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 TSHR 408/4885ALDH1A1 1701/4885NPSR1 212/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 TSHR 3605/4885ALDH1A1 372/4885NPSR1 2851/4885
US-20050261371-A1 Pentanoic acid derivatives FFAR3, FFAR1, HCAR3 TSHR 65/4885ALDH1A1 1869/4885NPSR1 146/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TSHR 3605/4885ALDH1A1 372/4885NPSR1 2851/4885

“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.