SCHEMBL10885253

SCHEMBL10885253

CC(=O)C1CCC(C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15242463 0.87 ALDH1A1 (0.32) LMNA
SCHEMBL8072275 0.86 ROCK2 (0.43) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL1227336 0.86 ROCK2 (0.43) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL11080452 0.86 ROCK2 (0.43) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL12868770 0.83 TSHR (0.32) ROCK2ROCK1
SCHEMBL26492652 0.83 TSHR (0.32) ROCK2ROCK1
SCHEMBL15080322 0.83 TSHR (0.32) ROCK2ROCK1
SCHEMBL824158 0.82 ACE (0.39) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL14436548 0.82 ACE (0.39) ROCK2ROCK1ALOX5LMNATDP1
SCHEMBL25544782 0.82 ACE (0.39) ROCK2ROCK1ALOX5LMNATDP1

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
US-11723990-B2 Library of pH responsive polymers and nanoprobes thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
US-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-05-10 US disclosed
US-20170210699-A1 PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS WILLIAM MARSH RICE UNIVERSITY (US) 2017-07-27 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
EP-0103486-B1 SMOKING COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1986-11-20 EP disclosed
US-4547568-A RELEASING FLAVOR UPON SMOKING PHILIP MORRIS INCORPORATED (US) 1985-10-15 US disclosed
US-4481956-A B-KETOCARBOXYLIC ACID ESTER OF CARBOHYDRATE OF ALGOLHOL PHILIP MORRIS INCORPORATED (US) 1984-11-13 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 (5 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-20180127463-A1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF REN, MAN2B2, UTS2R ROCK2 2980/4885ROCK1 2414/4885ALOX5 4014/4885
US-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC ROCK2 2204/4885ROCK1 2782/4885ALOX5 2556/4885
US-20170210699-A1 PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS VIP, DDOST, ANTXR2 ROCK2 2179/4885ROCK1 1481/4885ALOX5 509/4885
US-11723990-B2 Library of pH responsive polymers and nanoprobes thereof MSN, CD44, CD47 ROCK2 515/4885ROCK1 561/4885ALOX5 3751/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ROCK2 4526/4885ROCK1 4781/4885ALOX5 1600/4885

“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.