SCHEMBL868694

SCHEMBL868694

CCC[CH]C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ADH1A P07327 3/20 0.35
SHBG P04278 1/20 0.35
ADH1C P00326 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL867699 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL866107 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL130310 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL868579 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL4717621 1.00 CYP1A2 (0.39) CYP1A2ADH1ASHBGADH1CCA1
SCHEMBL22523 0.97
SCHEMBL866488 0.92
SCHEMBL1482415 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1
SCHEMBL1482398 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1
SCHEMBL891565 0.87 CYP1A2 (0.44) CYP1A2ADH1ASHBGTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN claimed
US-20240176236-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-05-30 US disclosed
US-20230236503-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-27 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
CN-110143886-B Process for the preparation of beta-arylaminoalkols such as tulobuterol, chlorpropaline, isoadrenaline dichloride and sotalol 北京化工大学 2022-11-01 CN disclosed
CN-115128901-A Photosensitive resin composition, cured product, printed wiring board, and method for producing printed wiring board 太阳油墨制造株式会社 2022-09-30 CN disclosed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN disclosed
CN-108602907-B Polymerizable composition, cured product, optical film for display, and method for producing cured product 株式会社艾迪科 2021-04-09 CN disclosed
CN-112384538-A Polymer, composition containing same, method for curing same, cured product thereof, and method for producing polymer 株式会社ADEKA 2021-02-19 CN disclosed
CN-108373420-B Cationic surfactant, preparation method and application thereof 中日合成化学股份有限公司 2020-10-20 CN disclosed
US-5347050-A Cardioselective adrenoreceptor blocking agents; prophylaxis and therapy for coronary diseases, glaucoma, migraine BERTHOLD RICHARD (CH) 1994-09-13 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP disclosed
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed
EP-0599265-A1 Antibacterial, antifungal compound and its production method Takeda Chemical Industries, Ltd. (JP) 1994-06-01 EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed
EP-0560235-A1 Condensed heterocyclic ketone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-09-15 EP disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 EP disclosed
US-4425362-A CARDIOVASCULAR DISORDERS, ADRENERGIC BLOCKING AGENTS SANDOZ LTD. (CH) 1984-01-10 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-20240176236-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS PAG1, KAT5, SLC6A5 CYP1A2 3930/4885ADH1A 3465/4885SHBG 4628/4885

“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.