SCHEMBL423939

SCHEMBL423939

CCC(CCC(C)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL11802878 0.85 TSHR (0.39) TSHRLMNATDP1ALDH1A1
SCHEMBL28150925 0.84 TSHR (0.43) TSHRLMNATDP1
SCHEMBL28949263 0.83 TSHR (0.47) TSHRLMNATDP1ALDH1A1
SCHEMBL14036720 0.81 TSHR (0.45) TSHRLMNATDP1ALDH1A1
SCHEMBL4889295 0.79 TSHR (0.43) TSHRLMNATDP1
SCHEMBL20577887 0.79 LMNA (0.50) TSHRLMNATDP1ALDH1A1
SCHEMBL13966459 0.78 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL7219024 0.78 LMNA (0.48) TSHRLMNATDP1ALDH1A1
SCHEMBL4893502 0.77 TSHR (0.41) TSHRLMNA
SCHEMBL4889479 0.77 TSHR (0.41) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039740-B1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID LONZA AG (CH) 2016-11-09 EP disclosed
WO-2016162400-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF BORON WITH A BRONSTEDT ACID LONZA LTD (CH) 2016-10-13 WO disclosed
EP-3078668-A1 METHOD FOR PREPARATION OF FLUORO CYANO COMPOUNDS OF THE 15TH GROUP WITH A BRONSTEDT ACID Lonza Ltd (CH) 2016-10-12 EP disclosed
US-9458180-B2 Method for preparation of cyano compounds of the 13th group with a lewis acid LONZA LTD. (CH) 2016-10-04 US disclosed
US-20160229874-A1 Method for Preparation of Cyano Compounds of the 13th Group with a Lewis Acid LONZA LTD. (CH) 2016-08-11 US disclosed
EP-3039740-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID Lonza Ltd (CH) 2016-07-06 EP disclosed
WO-2015067404-A1 METHOD FOR PREPARATION OF FLUORO CYANO COMPOUNDS OF THE 15TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
WO-2015067405-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
WO-2014167035-A1 METHOD FOR PREPARATION OF FLUORO AND CHLORO CYANO COMPOUNDS OF THE 15TH GROUP LONZA LTD (CH) 2014-10-16 WO disclosed
WO-2014167034-A2 FLUORO AND CHLORO CYANO COMPOUNDS OF THE 15TH GROUP LONZA LTD (CH) 2014-10-16 WO disclosed
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4255577-A Process and intermediates for preparing 3-[4-(disubstituted-amino)phenyl] or STERLING DRUG INC. (US) 1981-03-10 US disclosed
US-4251092-A COATED WITH A 3-HETERO-3-(DIPHENYLAMINO)PHTHALIDES COLOR FORMER STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4200313-A Carbonless duplicating systems STERLING DRUG INC. (US) 1980-04-29 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4187223-A 3-[4-(Disubstituted-amino)phenyl]-3-(diphenylamino)phthalides STERLING DRUG INC. (US) 1980-02-05 US disclosed
US-4182714-A CARBONLESS COLORING DUPLICATING STERLING DRUG INC. (US) 1980-01-08 US disclosed
US-4168378-A THERMOGRAPHY, LEUCO DYES STERLING DRUG INC. (US) 1979-09-18 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 (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-20160229874-A1 Method for Preparation of Cyano Compounds of the 13th Group with a Lewis Acid CA4, CA13, CA7 TSHR 1134/4885LMNA 283/4885TDP1 3661/4885

“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.