SCHEMBL645977

SCHEMBL645977

Cc1ccc2[c]cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 8/20 0.47
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NQO2 P16083 1/20 0.34
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MAOB P27338 1/20 0.32
NCK1 P16333 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2701498 0.84 CYP2A6 (0.52) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL2701886 0.84 CYP2A6 (0.52) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL645539 0.83 CYP2A6 (0.48) CYP2A6TDP1CYP1A2ALDH1A1ACHE
SCHEMBL18317667 0.79 CYP1A2 (0.48) CYP2A6TDP1CYP1A2ALDH1A1ACHE
SCHEMBL2318276 0.77 ESR1 (0.35) CYP1A2CYP3A4CA9
SCHEMBL28146675 0.77 CYP1A2 (0.38) CYP2A6TDP1CYP1A2ALDH1A1ACHE
SCHEMBL2250860 0.77 CYP1A2 (0.39) CYP2A6TDP1CYP1A2ALDH1A1ACHE
SCHEMBL18317277 0.76 CYP1A2 (0.50) CYP2A6TDP1CYP1A2ALDH1A1THRB
SCHEMBL756551 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL644419 0.76 CYP2A6 (0.50) CYP2A6TDP1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101987822-A Organic electroluminescent material and application thereof BEIJING VISIONOX TECHNOLOGY CO 2011-03-23 CN claimed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 US claimed
US-4096255-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-20 US claimed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4073914-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US claimed
US-4070457-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-24 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed
WO-2024147306-A1 AMIDE COMPOUND AND HARMFUL ARTHROPOD CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2024-07-11 WO disclosed
US-11681222-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2023-06-20 US disclosed
US-11581567-B2 Lithium ion battery and electrolyte thereof CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2023-02-14 US disclosed
US-20220137508-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2022-05-05 US disclosed
CN-109721605-B Immune cell migration inhibitor 维眸生物科技(上海)有限公司 2022-03-11 CN disclosed
US-20210278764-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2021-09-09 US disclosed
US-4073891-A ANTITHROMBOGENIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed
US-4072743-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US disclosed
US-4070457-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-24 US disclosed
US-4069317-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-17 US disclosed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 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-11581567-B2 Lithium ion battery and electrolyte thereof PLCB1, PLCB3, LAGE3 CYP2A6 4413/4885TDP1 4005/4885CYP1A2 4570/4885

“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.