SCHEMBL4675951

SCHEMBL4675951

[CH2]C(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6873952 1.00 EPHX1 (0.37) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL2021417 1.00 EPHX1 (0.37) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL8296257 0.97 EPHX1 (0.33) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL5720721 0.95 EPHX1 (0.37) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL5462680 0.95 EPHX1 (0.32) EPHX1SHBGTP53CYP1A2
SCHEMBL9697174 0.92
SCHEMBL8781239 0.81
SCHEMBL14931538 0.76 METAP1 (0.41) EPHX1SHBGTP53CYP1A2
SCHEMBL4449485 0.76 METAP1 (0.41) EPHX1SHBGTP53CYP1A2
SCHEMBL21753853 0.76 METAP1 (0.41) EPHX1SHBGTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569928-A4 THERAPEUTIC COMPOUNDS AND METHODS GOVERNMENT OF THE STATE OF SAR (MY) 2008-12-10 EP claimed
JP-2006508098-A 2006-03-09 JP claimed
EP-1569928-A1 THERAPEUTIC COMPOUNDS AND METHODS The Government of the State of Sarawak, Malaysia (MY) 2005-09-07 EP claimed
WO-2004041812-A1 THERAPEUTIC COMPOUNDS AND METHODS THE GOVERNMENT OF THE STATE OF SARAWAK, MALAYSIA (MY) 2004-05-21 WO claimed
US-20030181514-A1 Therapeutic compounds and methods GOVERNMENT OF THE STATE OF SARAWAK, MALAYSIA (MY) 2003-09-25 US claimed
WO-2023163082-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE BATTERY COMPRISING SAID NONAQUEOUS ELECTROLYTE SOLUTION, AND COMPOUND MUアイオニックソリューションズ株式会社 2023-08-31 WO disclosed
US-11635685-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-25 US disclosed
US-20220026803-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-27 US disclosed
US-20210149300-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-05-20 US disclosed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
CN-1254463-C Flexible method for the combined production of formic acid and carboxylic acids having at least two carbon atoms and/or derivatives thereof BASF AG (DE) 2006-05-03 CN disclosed
US-6492397-B1 SUCH AS 1-PROPYL-4-BUTYL-1,3-DIHYDRO-3-((5-(2-(1H-TETRAZOL-5-YL)PHENYL)-2 -PYRIDINYL)METHYL)-2H-IMIDAZOL-2-ONE; ANGIO-TENSIN II ANTAGONISTS; CIRCULATORY DISORDERS; HYPERTENSION, CONGESTIVE HEART FAILURE PHARMACIA CORPORATION 2002-12-10 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 (1 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-20030181514-A1 Therapeutic compounds and methods DHFR, CPT1A, NDUFAB1 EPHX1 565/4885SHBG 917/4885TP53 327/4885

“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.