SCHEMBL186363

SCHEMBL186363

CC1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
PDPK1 O15530 1/20 0.55
IDO1 P14902 2/20 0.50
DRD2 P14416 1/20 0.47
CYP11B2 P19099 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
BCHE P06276 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL15147096 1.00 HTR2A (0.57) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL321745 0.86 IDO1 (0.53) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL29977975 0.86 IDO1 (0.53) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL15147106 0.86 IDO1 (0.53) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL7374844 0.85 HTR2A (0.52) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL7898130 0.83 TSHR (0.52) HTR2AHTR2CHTR2BPDPK1IDO1
Hydrogen Peroxide SCHEMBL8418801 0.83 IDO1 (0.50) HTR2AHTR2CHTR2BPDPK1IDO1
SCHEMBL11875174 0.82 ALDH1A1 (0.44) HTR2AHTR2CHTR2BPDPK1IDO1
Methacrylic Acid SCHEMBL1220641 0.82 PIN1 (0.44) HTR2AHTR2CHTR2BPDPK1CYP11B2
SCHEMBL6230330 0.79 DRD2 (0.50) HTR2APDPK1IDO1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119861156-A Method for pre-judging identification degree of high molecular material interfering fire scene gasoline inspection 中国人民警察大学(公安部国际执法合作学院、中国维和警察培训中心) 2025-04-22 CN claimed
CN-117181288-A Hydrocracking catalyst and preparation method and application thereof 中国石油化工股份有限公司 2023-12-08 CN claimed
CN-117181294-A Diesel oil hydro-upgrading catalyst and preparation method and application thereof 中国石油化工股份有限公司 2023-12-08 CN claimed
CN-117181287-A Hydrogenation catalyst for raw materials rich in bicyclic aromatic hydrocarbon as well as preparation method and application thereof 中国石油化工股份有限公司 2023-12-08 CN claimed
CN-117181293-A Hydrogenation catalyst for polycyclic aromatic hydrocarbon-rich raw material, and preparation method and application thereof 中国石油化工股份有限公司 2023-12-08 CN claimed
CN-117164420-A Method for synthesizing methyl indane and tetrahydronaphthalene from cyclopentanone 中国科学院大连化学物理研究所 2023-12-05 CN claimed
CN-115990504-A Layered mordenite catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2023-04-21 CN claimed
CN-115991624-A Method for producing tetratoluene 中国石油化工股份有限公司 2023-04-21 CN claimed
CN-113278441-B Auxiliary agent for optimizing product distribution in delayed coking or visbreaking process and preparation method thereof 山东京博石油化工有限公司 2022-11-29 CN claimed
US-11377405-B2 Indene composition ENEOS CORPORATION (JP) 2022-07-05 US claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 WO claimed
EP-0973768-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP claimed
WO-1998043970-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-08 WO claimed
EP-0549245-A1 Para-xylene adsorptive separation with indan or indan derivatives as heavy desorbent UOP (US) 1993-06-30 EP claimed
WO-1993003033-A1 CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1993-02-18 WO claimed
US-5159131-A Chromatography UOP (US) 1992-10-27 US claimed
EP-0353798-A2 Treatment of gelling agents UNILEVER N.V. (NL) 1990-02-07 EP claimed

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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB HTR2A 4774/4885HTR2C 4787/4885HTR2B 3673/4885
US-11377405-B2 Indene composition INTS9, IPO5, INTS6 HTR2A 1526/4885HTR2C 450/4885HTR2B 731/4885

“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.