SCHEMBL631791

SCHEMBL631791

O=C1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.68
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
CYP2C9 P11712 1/20 0.59
TET3 O43151 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
HDAC4 P56524 3/20 0.46
HSD11B1 P28845 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43

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
Ethylene SCHEMBL3968000 0.96 AKR1C1 (0.63) AKR1C1KMT2AMEN1CYP2C9TET3
SCHEMBL13226486 0.90 AKR1C1 (0.60) AKR1C1KMT2AMEN1CYP2C9TET3
SCHEMBL6391 0.85 AKR1C1 (0.83) AKR1C1KMT2AMEN1TET3FBXL19
SCHEMBL31016196 0.85 AKR1C1 (0.83) AKR1C1KMT2AMEN1TET3FBXL19
SCHEMBL1447883 0.85 MEN1 (0.55) AKR1C1KMT2AMEN1CYP2C9HDAC4
SCHEMBL11097640 0.83 AKR1C1 (0.47) AKR1C1KMT2AMEN1CYP2C9TET3
SCHEMBL5768239 0.83 CYP2C9 (0.50) AKR1C1KMT2AMEN1CYP2C9HSD11B1
SCHEMBL11075416 0.83 KMT2A (0.54) AKR1C1KMT2AMEN1CYP2C9TET3
SCHEMBL11090558 0.83 CYP2C19 (0.48) AKR1C1KMT2AMEN1CYP2C9TET3
Hydrochloric Acid SCHEMBL3866423 0.83 AKR1C1 (0.79) AKR1C1KMT2AMEN1TET3FBXL19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
CN-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 CN disclosed
EP-4182299-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 Merck Sharp & Dohme LLC (US) 2023-05-24 EP disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
CN-102459226-B 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2014-09-17 CN disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
CN-102459226-A 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of ccr2 JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
US-4292323-A Phenyl-1,2,3,4-tetrahydrocarbazoles and use thereof SCHERING CORPORATION (US) 1981-09-29 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 AKR1C1 78/4885KMT2A 3071/4885MEN1 3912/4885

“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.