SCHEMBL799991

SCHEMBL799991

COC(OC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
LMNA P02545 3/20 0.42
TYR P14679 1/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GRIA4 P48058 2/20 0.38
KIF11 P52732 1/20 0.37
ATM Q13315 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL6680120 0.82 MAPK1 (0.33) ALDH1A1MAPK1ALOX15
SCHEMBL21299993 0.82 PDE2A (0.42) TSHRALDH1A1MAPK1TDP1
SCHEMBL12419959 0.82 OPRD1 (0.39) TSHRLMNATYRHPGDHSD17B10
SCHEMBL8955219 0.82 CA12 (0.35) TSHRALDH1A1MAPK1CA1CA2
SCHEMBL6272225 0.81 TSHR (0.44) TSHRLMNATYRALDH1A1MAPT
SCHEMBL8750599 0.79 TSHR (0.42) TSHRLMNATYRALDH1A1MAPT
SCHEMBL11393154 0.79 PDE2A (0.44) TSHRALDH1A1KIF11
SCHEMBL23651453 0.77 LMNA (0.44) TSHRLMNATYRALDH1A1MAPT
Methoxymethane SCHEMBL28023095 0.76 TSHR (0.61) TSHRLMNATYRALDH1A1MAPT
SCHEMBL20746752 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245945-B1 REACTING MIXTURE COMPRISING PHTHALIDE AND ACETAL OR KETAL AT FROM 10 TO 200 DEGREES C. IN PRESENCE OF FROM 1 TO 10 MOL OF WATER, BASED ON AMOUNT OF ACETAL OR KETAL, TO HYDROLYZE ACETAL OR KETAL TO CORRESPONDING ALDEHYDE OR KETONE BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-1071644-A1 METHOD FOR THE SELECTIVE HYDROLYSIS OF ACETALS OR KETALS IN THE PRESENCE OF PHTHALIDES BASF AKTIENGESELLSCHAFT (DE) 2001-01-31 EP claimed
WO-1999043640-A1 METHOD FOR THE SELECTIVE HYDROLYSIS OF ACETALS OR KETALS IN THE PRESENCE OF PHTHALIDES BASF AKTIENGESELLSCHAFT (DE) 1999-09-02 WO claimed
CN-110698334-B Preparation method of p-tert-butyl benzene propionaldehyde 格林生物科技股份有限公司 2022-07-29 CN disclosed
CN-110698334-A Preparation method of p-tert-butyl benzene propionaldehyde 格林生物科技股份有限公司 2020-01-17 CN disclosed
EP-2616424-B1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2015-08-26 EP disclosed
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 US disclosed
WO-2012034930-A1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 WO disclosed
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 US disclosed
WO-2011098432-A2 METHOD FOR PRODUCING 4-ISOPROPYLCYCLOHEXYLMETHANOL BASF SE (DE) 2011-08-18 WO disclosed
WO-2009059944-A1 ELECTROCHEMICAL METHOD FOR PRODUCING BENZALDEHYDE DIMETHYL ACETYLENE BASF SE (DE) 2009-05-14 WO disclosed
US-4612092-A TRIARYLAMINE, ELECTROLYSIS BASF AKTIENGESELLSCHAFT (DE) 1986-09-16 US disclosed
EP-0179289-A1 Method for producing aromatic carboxylic esters BASF Aktiengesellschaft (DE) 1986-04-30 EP disclosed
US-4539081-A ELECTROCHEMICAL OXIDATION IN ALKANOL CONTAINING SULFONIC ACID BASF AKTIENGESELLSCHAFT (DE) 1985-09-03 US disclosed
EP-0129795-A2 Process for manufacturing benzaldehyde dialkylacetals BASF Aktiengesellschaft (DE) 1985-01-02 EP disclosed
EP-0054698-A1 4,4'-Diphenyl ether-dialdehyde-bis-dimethyl acetal, and a method for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 EP disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed
EP-0005541-A2 Substituted piperidine, morpholine or piperidone derivatives, fungicides containing these compounds, process for their preparation and their use, and the use of these compounds as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-28 EP 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-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY HPD, PAH, PTMA TSHR 2594/4885LMNA 1464/4885TYR 10/4885

“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.