SCHEMBL535720

SCHEMBL535720

O=C1CCCC(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
SLC6A1 P30531 2/20 0.39
TSHR P16473 2/20 0.39
SLC6A11 P48066 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A2 P05177 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35

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
SCHEMBL15043867 1.00 THRB (0.42) THRBPOLBGAASLC6A1TSHR
SCHEMBL3934728 1.00 THRB (0.42) THRBPOLBGAASLC6A1TSHR
SCHEMBL29174145 0.93 POLB (0.42) THRBPOLBGAASLC6A1TSHR
SCHEMBL51838 0.86
SCHEMBL3295484 0.86
SCHEMBL1666449 0.86
SCHEMBL29883233 0.86
SCHEMBL8891557 0.86 TRIM24 (0.43) THRBPOLBGAASLC6A1TSHR
SCHEMBL28501013 0.84 GABRP (0.41) POLBGAATSHRLMNACYP2C19
SCHEMBL7893827 0.84 THRB (0.43) THRBSMN1; SMN2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146104-A Novel carbonyl functionalized proton type ionic liquid and preparation method and application thereof 南京大学 2024-06-07 CN claimed
CN-213132809-U Movable low-temperature circulating pump for producing 3-carbonyl cyclohexanecarboxylic acid 泰州精英化成医药科技有限公司 2021-05-07 CN claimed
US-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2019-11-21 US claimed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 EP claimed
EP-3078374-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2016-10-12 EP claimed
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-12-18 US claimed
EP-2768499-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2014-08-27 EP claimed
WO-2013059245-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2013-04-25 WO claimed
EP-1987035-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093515-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN LA-ROCHE AG (CH) 2007-08-23 WO claimed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US claimed
US-5488136-A Process for the racemization of nonracemic 3-oxyocylopentane- or -hexanecarboxylic acids or their esters with C1 -C6 -alcohols BOEHRINGER INGELHEIM KG (DE) 1996-01-30 US claimed
EP-0407909-B1 Process for the preparation of R-(+)-3-oxo cycloalkane carboxylic lower alkyl esters BOEHRINGER INGELHEIM KG (DE) 1994-11-02 EP claimed
EP-0407909-A1 Process for the preparation of R-(+)-3-oxo cycloalkane carboxylic lower alkyl esters BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP claimed
JP-1063548-A None JP disclosed
JP-1026533-A None JP disclosed
EP-4698229-A1 BISPECIFIC CYTOTOXICITY TARGETING CHIMERAS GlaxoSmithKline Intellectual Property Development Limited (GB) 2026-02-25 EP disclosed
JP-S6463548-A 3,3-BIS(4-HYDROXYPHENYL)-CYCLOHEXANECARBOXYLIC ACID DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEMICALS 1989-03-09 JP disclosed
JP-S6426533-A PRODUCTION OF 4'-HYDROXYBIPHENYL-3-CARBOXYLIC ACID MITSUI TOATSU CHEMICALS 1989-01-27 JP disclosed
US-4009181-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-02-22 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 (3 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-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 THRB 4035/4885POLB 2995/4885GAA 3839/4885
US-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 THRB 1306/4885POLB 2278/4885GAA 4126/4885
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 THRB 4250/4885POLB 3092/4885GAA 3429/4885

“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.