SCHEMBL1002901

SCHEMBL1002901

CC(C)(CC(=O)Cl)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1960027 0.80 HMGCR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL1005147 0.80 TSHR (0.42) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL13880069 0.80 ALDH1A1 (0.33) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL388297 0.79
SCHEMBL377850 0.78 KMT2A (0.31) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL25246442 0.77 TSHR (0.41) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL665258 0.75 TSHR (0.45) TSHRALDH1A1TP53HMGCRCHRM1
SCHEMBL212208 0.75
SCHEMBL12339113 0.75 TSHR (0.32) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3847858 0.74 TSHR (0.39) TSHRALDH1A1TP53HMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023698-A1 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID KRASUTSKY PAVEL A 2009-01-22 US claimed
EP-1869063-A2 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-12-26 EP claimed
WO-2006105356-A2 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2006-10-05 WO claimed
CN-117122721-A Sponge 贵州省农作物品种资源研究所 2023-11-28 CN disclosed
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-20090023698-A1 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID KRASUTSKY PAVEL A 2009-01-22 US disclosed
US-20090023698-A1 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID KRASUTSKY PAVEL A 2009-01-22 US disclosed
EP-1869063-A2 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-12-26 EP disclosed
EP-1869063-A2 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-12-26 EP disclosed
WO-2006105356-A3 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID UNIV MINNESOTA (US) 2006-11-23 WO disclosed
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 CN disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed
US-4219676-A FREE RADICAL POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1980-08-26 US disclosed
US-4079074-A FREE RADICAL CATALYSTS, CURING AGENTS FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1978-03-14 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 (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-20090023698-A1 METHODS OF MANUFACTURING BIOACTIVE 3-ESTERS OF BETULINIC ALDEHYDE AND BETULINIC ACID BET1, ALDH7A1, CA7 TSHR 4033/4885ALDH1A1 8/4885TP53 2976/4885
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 TSHR 23/4885ALDH1A1 2052/4885TP53 3843/4885

“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.