SCHEMBL7844700

SCHEMBL7844700

CC(C)(C)c1ccc(Cc2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
LTA4H P09960 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL6076332 0.83 LTA4H (0.44) LMNAMAPTNPC1NPSR1POLB
SCHEMBL20738474 0.79 MEN1 (0.61) LMNAMAPTHTTNPC1POLB
SCHEMBL3385419 0.79 MEN1 (0.54) LMNAMAPTHTTCYP1A2CYP3A4
SCHEMBL5176529 0.76 KMT2A (0.50) CYP19A1LMNAMAPTALOX12HTT
SCHEMBL45228 0.76 LMNA (0.50) LMNACYP2C19NPC1POLBPTGS1
SCHEMBL348623 0.75 TSHR (0.52) LMNAHTTNPSR1POLBTP53
Methyl Alcohol SCHEMBL5311361 0.75 LMNA (0.50) LMNAMAPTHTTCYP2C19NPC1
SCHEMBL10953000 0.75 HPGD (0.46) LMNACYP2C19POLBPTGS1PTGS2
SCHEMBL11660485 0.75 TAAR1 (0.42) LMNACYP2C19PTGS1PTGS2MEN1
SCHEMBL7294757 0.75 CYP3A4 (0.52) CYP19A1LMNAHTTCYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113666854-B Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2022-04-12 CN claimed
CN-113666854-A Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2021-11-19 CN claimed
US-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2023-11-09 US disclosed
EP-3845520-B1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR GOODYEAR TIRE & RUBBER (US) 2023-10-25 EP disclosed
US-11685712-B2 Synthesis of monofunctional thiuram accelerator THE GOODYEAR TIRE & RUBBER COMPANY (US) 2023-06-27 US disclosed
CN-115916144-A Cosmetic composition comprising a polyhydroxyalkanoate copolymer with a (non) saturated hydrocarbyl chain and a surfactant 莱雅公司 2023-04-04 CN disclosed
CN-115835855-A Cosmetic composition comprising a graft polyhydroxyalkanoate copolymer in a fatty medium 莱雅公司 2023-03-21 CN disclosed
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2023-01-26 US disclosed
CN-113666854-B Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2022-04-12 CN disclosed
CN-113666854-A Preparation method of symmetrical disulfide bond-containing compound 南京工业大学 2021-11-19 CN disclosed
CN-113121395-A Synthesis of monofunctional thiuram accelerators 固特异轮胎和橡胶公司 2021-07-16 CN disclosed
EP-3845520-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR The Goodyear Tire & Rubber Company (US) 2021-07-07 EP disclosed
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2021-07-01 US disclosed
EP-0865240-B1 USE OF 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS FOR THE CONTROL OF PESTS AND 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS BAYER AG (DE) 2001-10-04 EP disclosed
EP-0865240-A1 USE OF 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS FOR THE CONTROL OF PESTS AND NOVEL 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS BAYER AG (DE) 1998-09-23 EP disclosed
WO-1997020465-A1 USE OF 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS FOR THE CONTROL OF PESTS AND NOVEL 1,2,3-THIADIAZOLE CARBOXYLIC ACID (THIO)ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1997-06-12 WO disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 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 (4 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-20230357210-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND HAVING AN OXIME GROUP, AGRICULTURAL OR HORTICULTURAL HERBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE COMPOUND OR THE HERBICIDE DDT, HDHD5, HPD CYP19A1 455/4885LMNA 4279/4885MAPT 3883/4885
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT CYP19A1 2145/4885LMNA 4647/4885MAPT 4506/4885
US-11685712-B2 Synthesis of monofunctional thiuram accelerator TST, TERT, MGMT CYP19A1 2145/4885LMNA 4647/4885MAPT 4506/4885
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT CYP19A1 2145/4885LMNA 4647/4885MAPT 4506/4885

“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.