SCHEMBL455432

SCHEMBL455432

CCCCC(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.50
MME P08473 1/20 0.50
TBXAS1 P24557 2/20 0.49
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ASAH1 Q13510 1/20 0.45
ACER2 Q5QJU3 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 2/20 0.45
GPR88 Q9GZN0 1/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27541113 0.98 POLB (0.51) POLBCYP2C19MMETBXAS1CNR2
SCHEMBL4444443 0.94 TBXAS1 (0.51) POLBCYP2C19MMETBXAS1CNR2
SCHEMBL1911433 0.94 TBXAS1 (0.51) POLBCYP2C19MMETBXAS1CNR2
SCHEMBL2551104 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL1290373 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL2552649 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL2550963 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL2554332 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL2548840 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1
SCHEMBL1518057 0.93 TBXAS1 (0.54) POLBCYP2C19TBXAS1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573449-B Catalyst for preparing carboxylic acid chloride by carboxylic acid phosgenation reaction and application thereof 联化科技(德州)有限公司 2024-07-19 CN claimed
CN-118026836-A Preparation method of 4-tert-butylcyclohexyl acetic acid or ester thereof 中国科学技术大学 2024-05-14 CN claimed
CN-116121754-B Organic system Al/Mo etching solution, and preparation method and application thereof 浙江奥首材料科技有限公司 2023-11-17 CN claimed
CN-114790136-A Preparation method and application of active trivalent organic chromium compound 中国石油天然气股份有限公司 2022-07-26 CN claimed
CN-114573449-A Catalyst for preparing carboxylic acid chloride through carboxylic acid phosgenation reaction and application of catalyst 联化科技(德州)有限公司 2022-06-03 CN claimed
CN-110256632-B Preparation method of chromium-free polyolefin resin with high branching degree 中韩(武汉)石油化工有限公司 2022-05-24 CN claimed
WO-2019156991-A1 METHODS OF INHIBITING FORMATION OF ALPHA SYNUCLEIN AGGREGATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-15 WO claimed
CN-104884065-B The method for the treatment of cancer 强烈治疗剂公司 2019-01-01 CN claimed
CN-108977195-A A kind of surface ligand is the preparation method of the quantum dot of deprotonation sulfydryl TCL集团股份有限公司 2018-12-11 CN claimed
US-20180125803-A1 METHODS OF INHIBITING PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-10 US claimed
CN-103119208-A A biocidal polyolefin yarn with 3-12 filaments VESTERGAARD FRANDSEN SA 2013-05-22 CN claimed
CN-102832382-A Method for preparing nano-lithium titanate cathode material LONG POWER SYSTEMS SUZHOU CO LTD 2012-12-19 CN claimed
CN-102832391-A Method for preparing LiFe[x]M[1-x]PO4/C lithium ion composite anode material LONG POWER SYSTEMS SUZHOU CO LTD 2012-12-19 CN claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2003031609-A1 ESTERASE ESTA OF RHODOCOCCUS SP. DEGUSSA AG (DE) 2003-04-17 WO claimed
WO-2003031625-A1 ESTERASE ESTA EXTRACTED FROM RHODOCOCCUS RUBER DEGUSSA AG (DE) 2003-04-17 WO claimed

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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 POLB 4483/4885CYP2C19 2594/4885MME 449/4885
US-20180125803-A1 METHODS OF INHIBITING PAIN ATP2A3, ATP2A1, ATP2A2 POLB 3705/4885CYP2C19 4677/4885MME 376/4885

“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.