Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide

SCHEMBL5178296

C(=NC1CCCCC1)=NC1CCCCC1.O=C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
HIF1A Q16665 1/20 0.60
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.33
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
Dicyclohexylcarbodiimide SCHEMBL8508859 0.88 EPHX1 (0.60) EPHX1HIF1AALDH1A1CYP1A2PDK1
Dicyclohexylcarbodiimide SCHEMBL3970888 0.79 EPHX1 (0.71) EPHX1HIF1AALDH1A1CYP1A2CES2
Dicyclohexylcarbodiimide SCHEMBL10525266 0.78 EPHX1 (0.88) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL3173433 0.78 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL21986399 0.78 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL303 0.78 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL15667923 0.78 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
SCHEMBL11842065 0.78 EPHX1 (1.00) EPHX1HIF1AALDH1A1CYP1A2
Dicyclohexylcarbodiimide SCHEMBL27496513 0.77 EPHX1 (0.68) EPHX1HIF1AALDH1A1CYP1A2CES2
Dicyclohexylcarbodiimide SCHEMBL28183625 0.77 EPHX1 (0.68) EPHX1HIF1AALDH1A1CYP1A2CES2

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-1794177-A2 PROCESS FOR PREPARING 7 -ALKOXYCARBONYL SUBSTITUTED STEROIDS Pharmacia Corporation (US) 2007-06-13 EP disclosed
CN-1934126-A Process for the preparation of 9, 11 epoxy steroids PHARMACIA & UPJOHN CO LLC (US) 2007-03-21 CN disclosed
EP-1730164-A1 IMPROVED PROCESS FOR THE PREPARATION OF 9,11 EPOXY STEROIDS Pharmacia & Upjohn Company LLC (US) 2006-12-13 EP disclosed
US-20060264412-A1 Carbonylation; hydrogenation; for preparation of eplerenone PHARMACIA CORPORATION (US) 2006-11-23 US disclosed
CN-1839145-A Steroid spirolactonization PHARMACIA CORP (US) 2006-09-27 CN disclosed
WO-2004085458-A9 STEROID SPIROLACTONIZATION PHARMACIA CORP (US) 2006-06-08 WO disclosed
WO-2006032970-A2 PROCESS FOR PREPARING 7α-ALKOXYCARBONYL SUBSTITUTED STEROIDS PHARMACIA CORPORATION (US) 2006-03-30 WO disclosed
EP-1606306-A2 STEROID SPIROLACTONIZATION Pharmacia Corporation (US) 2005-12-21 EP disclosed
US-20050272927-A1 Process for the preparation of 9, 11 epoxy steroids PHARMACIA & UPJOHN COMPANY LLC (US) 2005-12-08 US disclosed
WO-2005092913-A1 IMPROVED PROCESS FOR THE PREPARATION OF 9,11 EPOXY STEROIDS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-10-06 WO disclosed
US-20050090663-A1 Carbonylation; hydrogenation; epoxidation; alkynylation; for preparation of eplerenone PHARMACIA CORPORATION (US) 2005-04-28 US disclosed
WO-2004085458-A2 STEROID SPIROLACTONIZATION PHARMACIA CORPORATION (US) 2004-10-07 WO 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 (3 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-20050272927-A1 Process for the preparation of 9, 11 epoxy steroids CYP11A1, CYP4A11, CYP11B1 EPHX1 77/4885HIF1A 654/4885ALDH1A1 1511/4885
US-20060264412-A1 Carbonylation; hydrogenation; for preparation of eplerenone HSD17B7, HSD17B3, HSD17B2 EPHX1 486/4885HIF1A 1554/4885ALDH1A1 170/4885
US-20050090663-A1 Carbonylation; hydrogenation; epoxidation; alkynylation; for preparation of eplerenone HSD17B7, HSD17B2, HSD17B3 EPHX1 314/4885HIF1A 1460/4885ALDH1A1 143/4885

“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.