SCHEMBL659218

SCHEMBL659218

COC(=O)CCCC#CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RECQL P46063 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL9975552 0.94 TSHR (0.50) TSHRLMNAALDH1A1PPARGPPARA
SCHEMBL6744982 0.94 TSHR (0.50) TSHRLMNAALDH1A1PPARGPPARA
SCHEMBL9975548 0.94 TSHR (0.50) TSHRLMNAALDH1A1PPARGPPARA
SCHEMBL12910845 0.92 TSHR (0.52) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL2481274 0.92 TSHR (0.52) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL12484115 0.89 TSHR (0.48) TSHRLMNAALDH1A1PPARGPPARA
SCHEMBL7551344 0.88 TSHR (0.56) TSHRLMNAALDH1A1PPARGPPARA
SCHEMBL12484913 0.87 TSHR (0.47) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL12484150 0.87 TSHR (0.47) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL14198597 0.84 TSHR (0.52) TSHRLMNAALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663305-B1 METHOD FOR INTRODUCING SUBSTITUENTS INTO ALPHA,BETA-UNSATURATED KETONE AND PROSTAGLANDIN COMPOUND SYNTHESIS METHOD UTILIZING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2023-08-30 EP disclosed
US-11384044-B2 Method for introducing substituent into α,β-unsaturated ketone and method for synthesizing prostaglandin using the same NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2022-07-12 US disclosed
US-20210355061-A1 METHOD FOR INTRODUCING SUBSTITUENT INTO alpha,beta-UNSATURATED KETONE AND METHOD FOR SYNTHESIZING PROSTAGLANDIN USING THE SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2021-11-18 US disclosed
EP-3663305-A1 METHOD FOR INTRODUCING SUBSTITUENTS INTO , -UNSATURATED KETONE AND PROSTAGLANDIN COMPOUND SYNTHESIS METHOD UTILIZING SAME National Center for Geriatrics and Gerontology (JP) 2020-06-10 EP disclosed
EP-2803358-B1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN INC (US) 2017-05-03 EP disclosed
US-9637467-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-9637467-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 US disclosed
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. 2016-04-07 US disclosed
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. 2016-04-07 US disclosed
US-20040157901-A1 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2004-08-12 US disclosed
US-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-1075464-A1 NOVEL PROCESS AstraZeneca Aktiebolag (SE) 2001-02-14 EP disclosed
WO-1999044990-A1 NOVEL PROCESS ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 EP disclosed
US-4873360-A Process for the preparation of cyclopentanoids and novel intermediates produced thereby BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-10-10 US disclosed
US-4234720-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4188331-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-02-12 US disclosed
US-4117014-A PROSTAGLANDIN DERIVATIVES ABBOTT LABORATORIES (US) 1978-09-26 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 (4 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-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, LTB4R2 TSHR 1597/4885LMNA 2243/4885ALDH1A1 1092/4885
US-20210355061-A1 METHOD FOR INTRODUCING SUBSTITUENT INTO alpha,beta-UNSATURATED KETONE AND METHOD FOR SYNTHESIZING PROSTAGLANDIN USING THE SAME PTGES, PTGES2, PTGES3 TSHR 1139/4885LMNA 1021/4885ALDH1A1 677/4885
US-20040157901-A1 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE PTGIR, CBR1, DECR1 TSHR 144/4885LMNA 1100/4885ALDH1A1 2073/4885
US-11384044-B2 Method for introducing substituent into α,β-unsaturated ketone and method for synthesizing prostaglandin using the same PTGES, PTGES2, PTGES3 TSHR 1094/4885LMNA 991/4885ALDH1A1 618/4885

“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.