SCHEMBL4446393

SCHEMBL4446393

Cc1cc(C(C)(C)C)c(S)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
CA2 P00918 3/20 0.56
TYR P14679 2/20 0.56
POLB P06746 1/20 0.56
HSPA5 P11021 1/20 0.45
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP2D6 P10635 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 4/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
CA1 P00915 2/20 0.35
HPN P05981 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL9070219 0.87 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL3169634 0.78 GABRA1 (0.42) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL9654437 0.77 CA2 (0.41) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL7047479 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL27780818 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL10883435 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL81146 0.76 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL434782 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CA2TYRPOLB
SCHEMBL11853280 0.74 HSPA5 (0.39) ALDH1A1SMN1; SMN2CA2HSPA5CYP2C9
SCHEMBL6056034 0.74 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2CA2TYRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250341-B Catalyst system containing metallocene compound and method for catalyzing olefin polymerization by using catalyst system 北京引发科技有限公司 2020-12-11 CN claimed
CN-108250341-A The method of catalyst system and its catalysis in olefine polymerization containing metallocene compound 北京引发科技有限公司 2018-07-06 CN claimed
EP-3774711-B1 CYCLOPROPYL RING OPENING BY ALPHA ALKYLATION OF AN ALDEHYDE WITH A POLYCYCLIC OLEFIN FIRMENICH & CIE (CH) 2025-03-05 EP disclosed
CN-110520404-B Alpha alkylation of aldehydes with polycyclic olefins 弗门尼舍有限公司 2023-02-07 CN disclosed
US-11479740-B2 Cyclohexene propanal derivatives as perfuming ingredients FIRMENICH SA (CH) 2022-10-25 US disclosed
US-20220235290-A1 Cyclohexene Propanal Derivatives as Perfuming Ingredients FIRMENICH SA (CH) 2022-07-28 US disclosed
US-11390575-B2 Isomerisation reaction FIRMENICH SA (CH) 2022-07-19 US disclosed
EP-3612510-B1 ALPHA ALKYLATION OF ALDEHYDE WITH A POLYCYCLIC OLEFIN FIRMENICH & CIE (CH) 2022-07-06 EP disclosed
US-11319272-B2 Alpha alkylation of aldehyde with a polycyclic olefin FIRMENICH SA (CH) 2022-05-03 US disclosed
US-11267776-B2 Cyclopropyl ring opening by alpha alkylation of an aldehyde with a polycyclic olefin FIRMENICH SA (CH) 2022-03-08 US disclosed
US-20220041536-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2022-02-10 US disclosed
US-20060293546-A1 PROCESS FOR PRODUCING OLEFIN OLIGOMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-28 US disclosed
US-7115539-B2 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
US-7084219-B2 Contact product, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-01 US disclosed
US-20040209762-A1 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-20040186009-A1 Catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-23 US disclosed
US-6548443-B1 A transition metal compound having a cyclopentadiene in its molecule with a modified aluminum oxy compound obtained by reacting an aluminum oxy with a compound having a hydroxyl; improvement of the catalyst activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20010053832-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-20 US disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 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 (7 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-11267776-B2 Cyclopropyl ring opening by alpha alkylation of an aldehyde with a polycyclic olefin CBR3, CBR1, AKR1C3 ALDH1A1 11/4885SMN1; SMN2 3243/4885CA2 3398/4885
US-11319272-B2 Alpha alkylation of aldehyde with a polycyclic olefin AKR1C3, ADH1A, ADH1C ALDH1A1 7/4885SMN1; SMN2 3001/4885CA2 2530/4885
US-20040209762-A1 Metal compound, and catalyst component and catalyst for addition polymerization, and process for producing addition polymer AP1M1, PYM1, SEM1 ALDH1A1 1378/4885SMN1; SMN2 1225/4885CA2 2003/4885
US-20220235290-A1 Cyclohexene Propanal Derivatives as Perfuming Ingredients C5, C1S, C1R ALDH1A1 287/4885SMN1; SMN2 4573/4885CA2 2454/4885
US-11479740-B2 Cyclohexene propanal derivatives as perfuming ingredients C5, C1S, C1R ALDH1A1 287/4885SMN1; SMN2 4573/4885CA2 2454/4885
US-11390575-B2 Isomerisation reaction CYP3A4, CYP4A11, UGT1A10 ALDH1A1 586/4885SMN1; SMN2 3292/4885CA2 1645/4885
US-20220041536-A1 ISOMERISATION REACTION CYP3A4, CYP4A11, UGT1A10 ALDH1A1 586/4885SMN1; SMN2 3292/4885CA2 1645/4885

“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.