SCHEMBL96161

SCHEMBL96161

CCCCN(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
ESR1 P03372 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
PPARG P37231 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL11366087 0.98 MAPT (0.53) MAPTTDP1OPRM1OPRL1ESR1
Hydrochloric Acid SCHEMBL8801549 0.98 MAPT (0.53) MAPTTDP1OPRM1OPRL1ESR1
SCHEMBL94623 0.93 NPC1 (0.49) MAPTCA12CA2CA9NPC1
SCHEMBL8980646 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL21337225 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL8980574 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL94910 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL21916561 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL6501802 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8
SCHEMBL10490549 0.91 NPC1 (0.51) MAPTNPC1JAK2RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
EP-3842406-B1 PROCESS FOR PREPARING AN ALKOXYMETHYL ALKYNYL ETHER COMPOUND HAVING A TERMINAL TRIPLE BOND SHINETSU CHEMICAL CO (JP) 2023-10-11 EP disclosed
WO-2023142167-A1 CATIONIC LIPID ANALOG, AND COMPOSITION AND USE THEREOF 广州立得生物医药科技有限公司 2023-08-03 WO disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-07-12 US disclosed
CN-109021605-B Dye compound, composition comprising the same, and display device using the same 三星显示有限公司 2022-04-01 CN disclosed
US-11247904-B2 Scroll composite having amphiphilic substance inside and method for preparation of the same INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2022-02-15 US disclosed
US-20210403638-A1 BLOCK COPOLYMER INTRINSIC STRETCHABLE ELECTROLUMINESCENT ELASTOMER AND PREPARATION METHOD AND APPLICATION THEREOF NANJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS (CN) 2021-12-30 US disclosed
EP-0175271-A2 Disazo dyes and their use in liquid crystal materials or in dyeing synthetic polymers or fibres BASF Aktiengesellschaft (DE) 1986-03-26 EP disclosed
EP-0155507-A2 Azo dyes and liquid crystalline materials containing these dyes BASF Aktiengesellschaft (DE) 1985-09-25 EP disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3992395-A Process for the preparation of chlorinated phenylhydroxylamines RHONE-POULENC S.A. (FR) 1976-11-16 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 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 (3 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-11384041-B2 Process for preparing an alkoxymethyl alkynyl ether compound having a terminal triple bond CBR3, CBR1, AOC2 MAPT 4691/4885TDP1 3814/4885OPRM1 200/4885
US-11247904-B2 Scroll composite having amphiphilic substance inside and method for preparation of the same PSAP, SGMS2, SDCBP MAPT 3949/4885TDP1 4461/4885OPRM1 3983/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 MAPT 4245/4885TDP1 1712/4885OPRM1 4436/4885

“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.