SCHEMBL411734

SCHEMBL411734

CCCc1cccc(N)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DAO P14920 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CD44 P16070 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GRM5 P41594 1/20 0.33

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 SCHEMBL27657593 0.98 NOS2 (0.36) NOS2CYP3A4TSHRPIK3CAALDH1A1
Ethylene SCHEMBL27977899 0.96 NOS2 (0.35) NOS2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL27548295 0.89 GABRA1 (0.37) NOS2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL3697918 0.86 CYP3A4 (0.43) NOS2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL23609209 0.85 TAAR1 (0.41)
SCHEMBL453688 0.85 CA2 (0.32) TSHRALDH1A1HPGDKDM4EGAA
SCHEMBL9563230 0.84 ALDH1A1 (0.35) NOS2CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL1452942 0.84 ALDH1A1 (0.41) NOS2TSHRALDH1A1HPGDKDM4E
Diethylaniline SCHEMBL18092108 0.83 TSHR (0.41) CYP3A4TSHRALDH1A1HPGDKDM4E
SCHEMBL140512 0.83 SKP2 (0.43) CYP3A4TSHRPIK3CACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018718-B Preparation method of halogen substituted alkylaniline 青岛凯源祥化工有限公司 2023-02-07 CN claimed
CN-111018718-A Preparation method of halogen substituted alkylaniline 青岛凯源祥化工有限公司 2020-04-17 CN claimed
CN-110551054-A maleimide derivative, and preparation method and application thereof TECHNICAL INST PHYSICS & CHEMISTRY CAS 2019-12-10 CN claimed
US-9371347-B2 dppf-like compounds and method of manufacture and use BROWN UNIVERSITY (US) 2016-06-21 US claimed
US-20160002274-A1 dppf-LIKE COMPOUNDS AND METHOD FO MANUFACTURE AND USE NATIONAL SCIENCE FOUNDATION 2016-01-07 US claimed
WO-2014130410-A1 DPPF-LIKE COMPOUNDS AND METHODS BROWN UNIVERSITY (US) 2014-08-28 WO claimed
CN-1304486-C Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS INC (JP) 2007-03-14 CN claimed
US-5504257-A Process for producing diisopropyl ether with removal of acid material UOP (US) 1996-04-02 US claimed
US-4857657-A Preparation of hexenedioic acid diesters RHONE-POULENC CHIMIE (FR) 1989-08-15 US claimed
EP-4731689-A1 METHOD FOR THE PRODUCTION OF THERMOPLASTIC POLYOXAZOLIDINONE Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-12543674-B2 Embryogenesis factors for cellular reprogramming of a plant cell PIONEER HI-BRED INTERNATIONAL, INC. (US) 2026-02-10 US disclosed
EP-4448605-B1 PROCESS FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2025-11-19 EP disclosed
EP-4200353-B1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2025-11-19 EP disclosed
EP-4200351-B1 METHOD FOR THE PRODUCTION OF A THERMOPLASTIC POLYOXAZOLIDINONE COVESTRO DEUTSCHLAND AG (DE) 2025-11-19 EP disclosed
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed
US-4116929-A POLYESTERS EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4064126-A Process for the production of orotic acid LONZA, LTD. (CH) 1977-12-20 US disclosed
US-4017508-A POLYMERS EASTMAN KODAK COMPANY (US) 1977-04-12 US disclosed
US-3968188-A Process for preparing the pentaerythritol ester of phosphorohalidous acid MONSANTO COMPANY (US) 1976-07-06 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 (2 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-20160002274-A1 dppf-LIKE COMPOUNDS AND METHOD FO MANUFACTURE AND USE DBF4, CD22, CD2BP2 NOS2 1392/4885CYP3A4 437/4885TSHR 2129/4885
US-12543674-B2 Embryogenesis factors for cellular reprogramming of a plant cell CCNB2, CCNB1, CCNB3 NOS2 4232/4885CYP3A4 4593/4885TSHR 3536/4885

“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.