SCHEMBL44447

SCHEMBL44447

C1=CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.40
HTR2C P28335 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
CES1 P23141 1/20 0.35
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
HTR2A P28223 1/20 0.33
IDO1 P14902 1/20 0.33
CYP2A6 P11509 1/20 0.33
PNMT P11086 1/20 0.33
CD44 P16070 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL29507678 1.00 TSHR (0.44) TSHRCYP1A2HTR2CCA1CA2
SCHEMBL594989 0.83 TSHR (0.46) TSHRHTR2CCA1CA2MAOA
SCHEMBL23766 0.77
SCHEMBL1162903 0.77 TSHR (0.44) TSHRCYP1A2HTR2CMAOAMAOB
SCHEMBL30003181 0.74 MEN1 (0.48) TSHRCYP1A2CA1CA2CYP2A6
SCHEMBL3978633 0.74 CYP1A2 (0.46) TSHRCYP1A2HTR2CMAOAMAOB
SCHEMBL308186 0.74 MEN1 (0.48) TSHRCYP1A2CA1CA2CYP2A6
SCHEMBL14591142 0.73 MAOA (0.32) TSHRCA1CA2MAOAMAOB
Indene SCHEMBL8336138 0.72 CA1 (0.55) TSHRCYP1A2HTR2CCA1CA2
Indene SCHEMBL8617 0.72

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 1602 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570751-A1 METHOD FOR OBTAINING MICRONS THICK, METER LONG CNTS BUCKYPAPER AND ITS USES IN THERMOELECTRICS AND AS CURRENT COLLECTOR OF A BATTERY Consejo Superior De Investigaciones Científicas (ES) 2025-06-18 EP claimed
WO-2024117265-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-06 WO claimed
US-20240166660-A1 KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2024-05-23 US claimed
CN-118048167-A Preparation method of mesophase pitch, mesophase pitch and application 华东理工大学 2024-05-17 CN claimed
CN-114957620-B Preparation of ruthenium metal catalyst and application of ruthenium metal catalyst in ring-opening metathesis polymerization 天津科技大学 2024-04-12 CN claimed
US-20240043744-A1 NANOPOROUS CERIUM OXIDE NANOPARTICLE MACRO-STRUCTURES AS AUTOXIDATION INHIBITORS XHEME, INC. 2024-02-08 US claimed
WO-2024031056-A1 NANOPOROUS CERIUM OXIDE NANOPARTICLE MACRO-STRUCTURES AS AUTOXIDATION INHIBITORS Xheme Inc. (US) 2024-02-08 WO claimed
CN-115417743-B Fractional melting crystallization process for industrial naphthalene refined naphthalene 中建安装集团有限公司 2024-01-30 CN claimed
CN-116396315-A Synthesis method of 1, 4-dihydronaphthalene structure compound 中国石油大学(华东) 2023-07-07 CN claimed
WO-2023096437-A1 HIGH HEAT-RESISTANT POLYETHYLENE TEREPHTHALATE COPOLYMER 한화솔루션 주식회사 2023-06-01 WO claimed
EP-0126064-A1 ELECTROACTIVE POLYMERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1984-11-28 EP claimed
US-4458047-A HEATING WITH ACID CATALYST SUN TECH, INC. (US) 1984-07-03 US claimed
EP-0028030-B1 PROCESS FOR STABILIZING POLYARYLATES WITH AN AROMATIC PHENOL UNION CARBIDE CORPORATION (US) 1984-05-30 EP claimed
WO-1984002030-A1 ELECTROACTIVE POLYMERS CHEVRON RES (US) 1984-05-24 WO claimed
EP-0040338-A2 Process for the preparation of acylated indanes and tetrahydronaphthalenes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-11-25 EP claimed
US-4097661-A ORGANO-SODIUM CONTAINING ALFIN CATALYST, HYDROCARBON SOLVENT, MOLECULAR WEIGHT REGULATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1978-06-27 US claimed
US-4024327-A Baking finishes which do not pollute the environment BASF AKTIENGESELLSCHAFT (DT) 1977-05-17 US claimed
US-4022673-A Electrochemical production of 1,4-dihydro aromatic compounds STANDARD OIL COMPANY (INDIANA) (US) 1977-05-10 US claimed
US-4021456-A Process for the manufacture of aminoanthraquinones CIBA-GEIGY AG (CH) 1977-05-03 US claimed
US-4001166-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1977-01-04 US 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 (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-20240166660-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TSHR 3778/4885CYP1A2 4380/4885HTR2C 4486/4885

“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.