SCHEMBL363983

SCHEMBL363983

CCOC(=O)C(C)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
PIN1 Q13526 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
NLRP3 Q96P20 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.45
MAPK1 P28482 1/20 0.44
MMP8 P22894 1/20 0.44
CASP1 P29466 1/20 0.43
GLS O94925 1/20 0.43

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
SCHEMBL28008252 0.87 NLRP3 (0.50) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL28008699 0.85 TSHR (0.46) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL31074064 0.85 TSHR (0.53) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL10858287 0.85 TSHR (0.53) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL7509738 0.85 MMP8 (0.51) TSHRTDP1PIN1LMNAKMT2A
SCHEMBL31198070 0.84 TDP1 (0.44) TSHRTDP1PIN1KMT2AMEN1
SCHEMBL10708969 0.84 CASP1 (0.57) TSHRPIN1LMNASMN1; SMN2KMT2A
SCHEMBL31257144 0.84 PIN1 (0.47) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL16673225 0.84 TDP1 (0.51) TSHRTDP1PIN1LMNASMN1; SMN2
SCHEMBL8873528 0.84 PIN1 (0.47) TSHRTDP1PIN1LMNASMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20220402854-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKENE ETHERS NEUROBO PHARMACEUTICALS INC (US) 2022-12-22 US disclosed
CN-111057168-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2022-07-12 CN disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
US-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 CN disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN disclosed
CN-111704543-A Process and intermediates for preparing alpha, omega-dicarboxylic acid terminated dialkyl ethers 燿石治疗公司 2020-09-25 CN disclosed
EP-3653598-A1 PROCESSES AND INTERMEDIATES FOR PREPARING , -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS Gemphire Therapeutics Inc. (US) 2020-05-20 EP disclosed
US-20200048181-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS NEUROBO PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-20160137584-A1 PROCESSES AND INTERMEDIATES FOR PREPARING a,w -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS GEMPHIRE THERAPEUTICS INC. 2016-05-19 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
EP-0383346-B1 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KK (JP) 1995-05-03 EP disclosed
US-5041403-A Magnesium, titanium, halogen, ester compound, and organic aluminum compound SHOWA DENKO K.K. (JP) 1991-08-20 US disclosed
EP-0383346-A2 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-08-22 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B TSHR 138/4885TDP1 1604/4885PIN1 3688/4885
US-20220402854-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKENE ETHERS ELOVL3, DGKI, ELOVL5 TSHR 3793/4885TDP1 3558/4885PIN1 3904/4885
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 TSHR 4825/4885TDP1 1477/4885PIN1 1490/4885
US-20160137584-A1 PROCESSES AND INTERMEDIATES FOR PREPARING a,w -DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS BCKDK, DGKI, DDC TSHR 3486/4885TDP1 3075/4885PIN1 2906/4885
US-20200048181-A1 PROCESSES AND INTERMEDIATES FOR PREPARING alpha,omega-DICARBOXYLIC ACID-TERMINATED DIALKANE ETHERS DGKI, DGKA, SQLE TSHR 3661/4885TDP1 3260/4885PIN1 3694/4885

“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.