Propane

Propane

SCHEMBL3677972

C=C(C)C(=O)OCC(O)CO.CCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.44
DGKA P23743 1/20 0.40
FAAH O00519 4/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.35
TGFBR1 P36897 1/20 0.32

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
SCHEMBL29375450 0.96 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL16863053 0.96 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL25707 0.96 TSHR (0.61) TSHRKDM4EDUSP3MEN1KMT2A
Methane SCHEMBL28897391 0.94 TSHR (0.59) TSHRKDM4EDUSP3MEN1KMT2A
Ethylene SCHEMBL27572484 0.94 TSHR (0.59) TSHRKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL28100194 0.94 TSHR (0.59) TSHRKDM4EDUSP3MEN1KMT2A
Propanol SCHEMBL27929363 0.93 TSHR (0.53) TSHRKDM4EDUSP3MEN1KMT2A
Bicarbonate SCHEMBL28904630 0.92 TSHR (0.57) TSHRKDM4EDUSP3MEN1KMT2A
Methacrylic Acid SCHEMBL25415594 0.91 TSHR (0.55) TSHRKDM4EDUSP3MEN1KMT2A
Methacrylic Acid SCHEMBL5435140 0.91 TSHR (0.55) TSHRKDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144865-B1 METHOD FOR PRODUCING DIOLS COGNIS IP MAN GMBH (DE) 2016-07-13 EP disclosed
US-7645846-B2 Useful as monomer for the preparation of hemocompatible coating, medical device, water soluble polymer material, paint, water borne coating, or an ocular device (contact lenses) COOPERVISION INTERNATIONAL HOLDING COMPANY LP (BB) 2010-01-12 US disclosed
US-7342054-B2 Method for producing polymerisable polyhydroxy compounds ROEHM GMBH & CO. KG (DE) 2008-03-11 US disclosed
US-20060258830-A1 Method for producing polymerisable polyhydroxy compounds ROEHM GBMH & CO. KG (DE) 2006-11-16 US disclosed
EP-1171411-B1 PROCESS FOR THE PREPARATION OF A DIOL COOPERVISION INT HOLDING CO LP (BB) 2005-01-12 EP disclosed
EP-1171410-B1 PROCESS FOR THE PREPARATION OF A DIOL COOPERVISION INT HOLDING CO LP (BB) 2004-12-08 EP disclosed
US-6610895-B2 Useful as monomer for the preparation of hemocompatible coating, medical device, water soluble polymer material, paint, water borne coating, or ocular device (contact lenses) HYDRON LIMITED (GB) 2003-08-26 US disclosed
US-20020042546-A1 Process for the preparation of a diol COOPERVISION INTERNATIONAL LIMITED (GB) 2002-04-11 US disclosed
US-20020042549-A1 Process for the preparation of a diol COOPERVISION INTERNATIONAL LIMITED (GB) 2002-04-11 US disclosed
EP-1171410-A1 PROCESS FOR THE PREPARATION OF A DIOL Hydron Limited (GB) 2002-01-16 EP disclosed
EP-1171411-A1 PROCESS FOR THE PREPARATION OF A DIOL Hydron Limited (GB) 2002-01-16 EP disclosed
WO-2000063150-A1 PROCESS FOR THE PREPARATION OF A DIOL HYDRON LIMITED (GB) 2000-10-26 WO disclosed
WO-2000063149-A1 PROCESS FOR THE PREPARATION OF A DIOL HYDRON LIMITED (GB) 2000-10-26 WO disclosed
WO-1998007055-A1 PROCESS FOR PREPARING AN OCULAR DEVICE HYDRON LIMITED (GB) 1998-02-19 WO disclosed
EP-0298611-B1 POLYURETHANES AND POLYURETHANE/POLYUREAS CROSSLINKED USING 2-GLYCERYL ACRYLATE OR 2-GLYCERYL METHACRYLATE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-04 EP disclosed
EP-0298611-A2 Polyurethanes and polyurethane/polyureas crosslinked using 2-glyceryl acrylate or 2-glyceryl methacrylate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-01-11 EP disclosed
US-4786657-A BINDERS, DRESSINGS, MEMBRANES, PROTECTIVE COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-22 US disclosed
US-4338419-A REDUCING IRRITATION FROW WEARING CONTACT LENSES SYNTEX (U.S.A.) INC. (US) 1982-07-06 US disclosed
US-4056496-A ACRYLIC CORNEAL SCIENCES, INC. (US) 1977-11-01 US disclosed
US-3957362-A Hydrogels and articles made therefrom CORNEAL SCIENCES, INC. (US) 1976-05-18 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 (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-20020042546-A1 Process for the preparation of a diol SI, SORD, ADH1C TSHR 4421/4885KDM4E 3767/4885DUSP3 4469/4885
US-20020042549-A1 Process for the preparation of a diol INHA, F12, F13A1 TSHR 3801/4885KDM4E 3770/4885DUSP3 3858/4885
US-20060258830-A1 Method for producing polymerisable polyhydroxy compounds GRHPR, GK, GMDS TSHR 4781/4885KDM4E 1196/4885DUSP3 3334/4885

“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.