Methylcyclopentane

Methylcyclopentane

SCHEMBL1835218

CC1CCCC1.NC(N)=O.NC(N)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
OR51E2 Q9H255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
ALOX5 P09917 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 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
Urea SCHEMBL1833095 0.97 EPHX1 (0.48) EPHX1ALDH1A1LMNAOR51E2TDP1
Urea SCHEMBL28802147 0.97 EPHX1 (0.48) EPHX1ALDH1A1LMNAOR51E2TDP1
Carbamic Acid SCHEMBL7466501 0.88 EPHX1 (0.46) EPHX1ALDH1A1CES2CES1ALOX5
Methylcyclopentane SCHEMBL8746944 0.84 EPHX1 (0.46) EPHX1ALDH1A1LMNACES2CES1
SCHEMBL20903992 0.84 EPHX1 (0.48) EPHX1ALDH1A1CES2CES1GAA
Methylcyclopentane SCHEMBL8197001 0.82 ALDH1A1 (0.52) EPHX1ALDH1A1CA1CA2CA4
SCHEMBL19228276 0.82 EPHX1 (0.46) EPHX1ALDH1A1CES2CES1GAA
SCHEMBL28087437 0.82 EPHX1 (0.47) EPHX1ALDH1A1CES2CES1NPC1
SCHEMBL27546826 0.82 EPHX1 (0.42) EPHX1ALDH1A1CES2CES1ALOX5
Propionamide SCHEMBL8603004 0.82 EPHX1 (0.42) EPHX1ALDH1A1CES2CES1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
CN-103097348-A Process for producing carbonyl compounds ASAHI KASEI CHEMICALS CORP (JP) 2013-05-08 CN disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 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 (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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH EPHX1 533/4885ALDH1A1 574/4885LMNA 2324/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH EPHX1 533/4885ALDH1A1 574/4885LMNA 2324/4885

“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.