SCHEMBL5250835

SCHEMBL5250835

CC#CCCCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RECQL P46063 1/20 0.38
GLA P06280 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
SCHEMBL13892956 0.92 TSHR (0.54) TSHRCYP1A2CYP2C9LMNAALDH1A1
SCHEMBL11475101 0.86
SCHEMBL16288292 0.83 TSHR (0.54) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL18191271 0.83 TSHR (0.58) TSHRLMNAALDH1A1KDM4EKMT2A
SCHEMBL29516095 0.81 TSHR (0.47) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7551344 0.81 TSHR (0.56) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL659218 0.81 TSHR (0.56) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7795312 0.81 TSHR (0.56) TSHRLMNAALDH1A1KDM4EKMT2A
SCHEMBL7966127 0.81 TSHR (0.56) TSHRALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL16288751 0.81 TSHR (0.56) TSHRLMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed
US-20160280640-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2016-09-29 US disclosed
US-20160102051-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS ATXA THERAPEUTICS LIMITED (IE) 2016-04-14 US disclosed
WO-2013156871-A9 THROMBOXANE RECEPTOR ANTAGONISTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-01-08 WO disclosed
EP-1858592-A2 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-11-28 EP disclosed
WO-2006101867-A2 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-09-28 WO disclosed
EP-1608309-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2005-12-28 EP disclosed
WO-2004071428-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2004-08-26 WO disclosed
CN-1273239-A (Poly) thia acetylenic acid and it derivative, composite containing them and its application OREAL (FR) 2000-11-15 CN 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-20160102051-A1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS TBXA2R, PTGFR, TBXAS1 TSHR 83/4885CYP1A2 2021/4885CYP2C9 4190/4885
US-20160280640-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, TBXAS1, PTGIR TSHR 47/4885CYP1A2 709/4885CYP2C9 1168/4885

“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.