SCHEMBL560936

SCHEMBL560936

COC(=O)CCCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
TSHR P16473 3/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
SCHEMBL8885696 0.98 TSHR (0.54) EPHX2TSHRNPC1RAB9ACYP1A2
SCHEMBL27672250 0.94 EPHX2 (0.53) EPHX2TSHRCYP1A2ALDH1A1EPHX1
SCHEMBL28136578 0.94 TSHR (0.54) EPHX2TSHRNPC1RAB9AALDH1A1
SCHEMBL10977640 0.93 EPHX2 (0.55) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL15369868 0.93 EPHX2 (0.55) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL10939248 0.93 EPHX2 (0.55) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL10781670 0.93 EPHX2 (0.55) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL3904358 0.92 TSHR (0.52) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL13546168 0.91 EPHX2 (0.53) EPHX2TSHRALDH1A1EPHX1SIGMAR1
SCHEMBL4942582 0.90 TSHR (0.58) EPHX2TSHRALDH1A1SMN1; SMN2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867023-B2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2005-03-15 US claimed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US claimed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP claimed
US-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-04-06 US disclosed
US-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-04-06 US disclosed
EP-4076649-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-10-26 EP disclosed
CN-114828958-A Cycloalkyl-containing carboxylic acids and use thereof 里米诺生物科学有限公司 2022-07-29 CN disclosed
WO-2021124272-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF Liminal Biosciences Limited (GB) 2021-06-24 WO disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-20030125306-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2003-07-03 US disclosed
US-20030083521-A1 Such as 5-phenyl-2,4-pentadienoylhydroxamic acid; for treating cancer, hematopoiesis, and genetic metabolic disorders (cystic fibrosis and adrenoleukodystrophy) CIRCAGEN PHARMACEUTICAL, A MARYLAND CORPORATION 2003-05-01 US disclosed
US-6495719-B2 FOR USE IN THERAPY OF CANCER, HEMATOLOGICAL DISORDERS, SUCH AS HEMATOPOIESIS, AND GENETIC RELATED METABOLIC DISORDERS, SUCH AS, CYSTIC FIBROSIS AND ADRENOLEUKODYSTROPHY CIRCAGEN PHARMACEUTICAL 2002-12-17 US disclosed
US-20020143196-A1 Histone deacetylase inhibitors ERRANT GENE THERAPEUTICS, LLC 2002-10-03 US disclosed
US-20020143052-A1 Histone deacetylase inhibitors ANGELA CHEN SABELLA 2002-10-03 US disclosed
US-20020143037-A1 Histone deacetylase inhibitors CIRCAGEN PHARMACEUTICAL, A DELAWARE CORPORATION 2002-10-03 US disclosed
WO-2002076941-A2 HISTONE DEACETYLASE INHIBITORS CIRCAGEN PHARMACEUTICAL (US) 2002-10-03 WO disclosed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US disclosed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP 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 (8 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-20030083521-A1 Such as 5-phenyl-2,4-pentadienoylhydroxamic acid; for treating cancer, hematopoiesis, and genetic metabolic disorders (cystic fibrosis and adrenoleukodystrophy) ZFX, HDAC5, ZNF277 EPHX2 1309/4885TSHR 3876/4885NPC1 815/4885
US-20020143052-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 EPHX2 3403/4885TSHR 3723/4885NPC1 472/4885
US-20030125306-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 EPHX2 3403/4885TSHR 3723/4885NPC1 472/4885
US-20020143196-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC5 EPHX2 3291/4885TSHR 4235/4885NPC1 518/4885
US-20020143037-A1 Histone deacetylase inhibitors HDAC1, HDAC9, HDAC11 EPHX2 3469/4885TSHR 3706/4885NPC1 395/4885
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material FASN, FFAR1, ACADM EPHX2 208/4885TSHR 3203/4885NPC1 2248/4885
US-20230107538-A1 CYCLOALKYL-CONTAINING CARBOXYLIC ACIDS AND USES THEREOF HCCS, CCL11, BCAT1 EPHX2 2009/4885TSHR 3796/4885NPC1 837/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 EPHX2 2721/4885TSHR 3695/4885NPC1 2831/4885

“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.