SCHEMBL3338993

SCHEMBL3338993

CC(C)=Cc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 1/20 0.44
PTGS2 P35354 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40

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
Hydrochloric Acid SCHEMBL27939901 0.95 CYP2A6 (0.44) CYP2A6RAB9ANPC1SMN1; SMN2ACHE
SCHEMBL2464948 0.88 ESR1 (0.46) TDP1PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL1429518 0.82 ALDH1A1 (0.52) RAB9ANPC1TDP1PTGS2CYP3A4
SCHEMBL30297389 0.81 MAPT (0.58) CYP2A6RAB9ANPC1SMN1; SMN2ACHE
SCHEMBL30297379 0.81 MAPT (0.58) CYP2A6RAB9ANPC1SMN1; SMN2ACHE
SCHEMBL8962657 0.79 GRIN2D (0.47) CYP2A6RAB9ANPC1SMN1; SMN2ACHE
SCHEMBL10829395 0.78 ESR1 (0.39) TDP1PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL276966 0.78 ESR1 (0.62) RAB9ANPC1SMN1; SMN2CA1PTGS2
SCHEMBL6546605 0.77 ESR1 (0.68) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL18790028 0.77 ESR1 (0.68) CYP2A6RAB9ANPC1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106242110-A The complete set of equipments of ferromanganese ion and minimizing technology thereof in a kind of advanced treating mine water 徐州市城区水资源管理处 2016-12-21 CN disclosed
US-8372979-B2 Process for the production of high-purity 2,4′-dimethyl-3-piperidino-propiophenone (tolperisone), pharmaceutical compositions that contain the latter, as well as active ingredient formulations that contain tolperisone SANOCHEMIA PHARMAZEUTIKA AG (AT) 2013-02-12 US disclosed
US-20100150995-A1 PROCESS FOR THE PRODUCTION OF HIGH-PURITY 2,4'-DIMETHYL-3-PIPERIDINO-PROPIOPHENONE (TOLPERISONE), PHARMACEUTICAL COMPOSITIONS THAT CONTAIN THE LATTER, AS WELL AS ACTIVE INGREDIENT FORMULATIONS THAT CONTAIN TOLPERISONE SANOCHEMIA PHARMAZEUTIKA AG (AT) 2010-06-17 US disclosed
CN-1324015-C Pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP disclosed
US-4766235-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1988-08-23 US disclosed
US-4642405-A POLYMERIZATION INHIBITORS HUELS AKTIENGESELLSCHAFT (DE) 1987-02-10 US disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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-20100150995-A1 PROCESS FOR THE PRODUCTION OF HIGH-PURITY 2,4'-DIMETHYL-3-PIPERIDINO-PROPIOPHENONE (TOLPERISONE), PHARMACEUTICAL COMPOSITIONS THAT CONTAIN THE LATTER, AS WELL AS ACTIVE INGREDIENT FORMULATIONS THAT CONTAIN TOLPERISONE MMP17, MMP25, MMP1 CYP2A6 164/4885RAB9A 3819/4885NPC1 2369/4885

“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.