SCHEMBL4015606

SCHEMBL4015606

O=C(O)C(Br)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.44
ALDH1A1 P00352 3/20 0.41
DPP4 P27487 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL4957639 1.00 EPHX1 (0.44) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL4422113 1.00 EPHX1 (0.44) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL10442249 0.97 EPHX1 (0.41) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL3394270 0.87
SCHEMBL11225412 0.84 EPHX1 (0.48) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL25265923 0.78 SHBG (0.38) ALDH1A1DPP4EPHX2THRBRECQL
SCHEMBL1616204 0.78 EPHX1 (0.43) EPHX1ALDH1A1DPP4NPC1RAB9A
SCHEMBL3634705 0.78 EPHX1 (0.43) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1779032 0.78 EPHX1 (0.60) EPHX1ALDH1A1DPP4SMN1; SMN2MAPT
SCHEMBL25201051 0.78 SHBG (0.38) ALDH1A1DPP4EPHX2THRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
CN-107286180-A Miscellaneous generation Pyridopyrimidinone derivatives are used as CDK inhibitor and its application 上海勋和医药科技有限公司 2017-10-24 CN disclosed
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 US disclosed
US-6992097-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20040122234-A1 Growth Hormone secretagogues HAUSER KENNETH LEE (US) 2004-06-24 US disclosed
US-5942622-A NOVEL COMPOUNDS FOR TREATING ILLNESS RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIAL RECEPTORS; FOR EXAMPLE: 4-((6-CHLORO-1,3-BENZODIOXOL-5-YL)METHYL)-1-(CYCLOHEXYLMETHYL) -3-(2-PYRIDINYL)-1H-PYRAZOLE-5-CARBOXYLATE HOECHST MARION ROUSSEL (FR) 1999-08-24 US disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
EP-0751934-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-01-08 EP disclosed
WO-1995026334-A1 SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1995-10-05 WO disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed
US-4329363-A Substituted mercapto acid amides and their use MERCK & CO., INC. (US) 1982-05-11 US disclosed
US-4216160-A IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS MERCK & CO., INC. (US) 1980-08-05 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 (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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 EPHX1 727/4885ALDH1A1 224/4885DPP4 3313/4885
US-20040122234-A1 Growth Hormone secretagogues GHSR, GHRHR, CRH EPHX1 3648/4885ALDH1A1 4382/4885DPP4 424/4885

“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.