SCHEMBL3640221

SCHEMBL3640221

CCC(C)(CC)C(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.36
ADRA1A P35348 2/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HMGCR P04035 1/20 0.32
TBXA2R P21731 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
Ammonia Solution, Strong SCHEMBL10585168 0.97 TDP1 (0.35) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL27574337 0.87 CA2 (0.32) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL5003419 0.85 CHRM1 (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL23383862 0.84 CA2 (0.30) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL23383641 0.84 RIPK1 (0.31) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL3378299 0.82 ALDH1A1 (0.37) TDP1ALDH1A1MAPT
SCHEMBL21470121 0.80 CA2 (0.32) CA2MAPK1
SCHEMBL20954010 0.79 HDAC1 (0.39) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL20143792 0.78 CHRM1 (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A
SCHEMBL8668420 0.78 CHRM1 (0.36) CHRM1ADRA1AAKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966099-B1 PARTICLE SIZE DISTRIBUTION CONTROL THROUGH INTERNAL DONOR IN ZIEGLER-NATTA CATALYST INDIAN OIL CORP LTD (IN) 2020-03-11 EP claimed
EP-3018150-B1 PROCESS FOR THE PREPARATION OF SPHERICAL CATALYST PARTICLES INDIAN OIL CORP LTD (IN) 2020-03-11 EP claimed
EP-3053935-B1 CATALYST COMPOSITION FOR OLEFIN POLYMERIZATION AND APPLICATION OF SAME CHINA PETROLEUM & CHEM CORP (CN) 2019-05-08 EP claimed
EP-3162819-B1 IMPROVED ZIEGLER-NATTA CATALYST SYNTHESIS AND PROCESS THEREOF INDIAN OIL CORP LTD (IN) 2018-09-05 EP claimed
EP-2897985-B1 CATALYST FOR POLYMERIZATION OF OLEFINS AND PROCESS THEREOF INDIAN OIL CORP LTD (IN) 2017-03-08 EP claimed
US-10357590-B2 Bioresorbable ceramic composition for forming a three dimensional scaffold DePuy Synthes Products, Inc. (US) 2019-07-23 US disclosed
US-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
EP-2755958-B9 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-20170360985-A9 BIORESORBABLE CERAMIC COMPOSITION FOR FORMING A THREE DIMENSIONAL SCAFFOLD DEPUY SYNTHES PRODUCTS INC (US) 2017-12-21 US disclosed
US-20170340770-A1 HYDRAULIC CEMENT-BASED IMPLANT MATERIAL AND USE THEREOF INNOTERE GMBH (DE) 2017-11-30 US disclosed
US-9764057-B2 Hydraulic cement-based implant material and use thereof INNOTERE GMBH (DE) 2017-09-19 US disclosed
EP-2755958-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-08-09 EP disclosed
WO-2002014482-A2 POLYKETIDES AND THEIR SYNTHESIS BIOTICA TECHNOLOGY LIMITED (GB) 2002-02-21 WO disclosed
EP-1012376-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS Blume, Hildegard (DE) 2000-06-28 EP disclosed
WO-1998059108-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS BLUME, HILDEGARD (DE) 1998-12-30 WO disclosed
US-4309544-A CONDENSATION OF 2-METHYLENE-QUINUCLIDIN-3-ONE WITH A KETONE OR AN THE PURDUE FREDERICK COMPANY (US) 1982-01-05 US disclosed
US-4262103-A SOLUTION POLYMERIZATION IN PRESENCE OF CATALYST MIXTURE OF ORGANOALUMINUM COMPOUND AND MOLYBDENUM SALT THE B. F. GOODRICH COMPANY (US) 1981-04-14 US disclosed
US-4226996-A 4-SUBSTITUTED-6-OXA-1-AZATRICYCLO/4.2.2.0.2.7/DODECAN-5-ONE SALT THE PURDUE FREDERICK COMPANY (US) 1980-10-07 US disclosed
US-4183938-A 1,8-Ethano-5-oxo-octa- and -decahydroquinolines and mydriatic compositions thereof THE PURDUE FREDERICK COMPANY (US) 1980-01-15 US disclosed
US-4083985-A 6-Oxa-1-aza tricyclo dodecan-5-ones as psychomotor stimulators THE PURDUE FREDERICK COMPANY (US) 1978-04-11 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-10080750-B2 Aminopyrimidine derivatives for use as modulators of kinase activity CDK6, TK1, MAP3K19 CHRM1 4245/4885ADRA1A 2375/4885AKR1A1 1712/4885

“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.