SCHEMBL3883291

SCHEMBL3883291

CCSc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.43
MAP2K7 O14733 1/20 0.41
S100A4 P26447 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
HTR7 P34969 1/20 0.39
NOTUM Q6P988 1/20 0.38
NPC1 O15118 2/20 0.37
ALOX15 P16050 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9793625 0.84 S100A4 (0.41) TSHRMAP2K7S100A4CDC25ACDC25B
SCHEMBL29738631 0.82 HTR7 (0.48) MCHR1TSHRACHERAB9AMAPT
SCHEMBL28367443 0.82 MCHR1 (0.48) MCHR1TSHRACHERAB9AMAPT
SCHEMBL9770355 0.82 HTR7 (0.48) MCHR1TSHRACHERAB9AMAPT
SCHEMBL10144088 0.81 PTGS2 (0.49) MCHR1TSHRACHERAB9AMAPT
SCHEMBL16347586 0.78 MCHR1 (0.46) MCHR1TSHRACHERAB9AMAPT
SCHEMBL5170853 0.78 HTR7 (0.46) MCHR1TSHRACHERAB9AMAPT
SCHEMBL27631808 0.78 MCHR1 (0.46) MCHR1TSHRACHERAB9AMAPT
SCHEMBL5517749 0.78 MCHR1 (0.46) MCHR1TSHRACHERAB9AMAPT
SCHEMBL6734336 0.78 CD44 (0.46) TSHRMAP2K7S100A4CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 CN claimed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 CN claimed
US-12565497-B2 Sulfone derivatives HOFFMANN-LA ROCHE INC. (US) 2026-03-03 US disclosed
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 CN disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20240297344-A1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-05 US disclosed
CN-114685331-B Process for producing 1, 2-dithioethane compound 华南理工大学 2024-07-09 CN disclosed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 CN disclosed
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 CN disclosed
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 EP disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-1998005721-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1998-02-12 WO disclosed
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed
WO-1996006142-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1996-02-29 WO disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-4339611-A BUTANOL, BUTANAL, COBALT, IODINE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-07-13 US disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 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-12565497-B2 Sulfone derivatives CXCR1, CCR1, SULT1E1 MCHR1 930/4885TSHR 1132/4885ACHE 4324/4885

“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.