SCHEMBL4943541

SCHEMBL4943541

O=C(O)C1CC=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ EDNRA P25101 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ EDNRB P24530 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL29405961 1.00 ALDH1A1 (0.40) ALDH1A1EDNRATDP1ATMHSPA1A
SCHEMBL19017672 1.00 ALDH1A1 (0.40) ALDH1A1EDNRATDP1ATMHSPA1A
SCHEMBL5320052 0.87 HTR2A (0.34) ALDH1A1TDP1ATMHSPA1APTPN7
SCHEMBL1025069 0.86 ATM (0.40) ALDH1A1ATMPOLBTSHR
4-Hydroxybenzaldehyde SCHEMBL28936869 0.85 ALDH5A1 (0.43) ALDH1A1TDP1
SCHEMBL642506 0.84 ATM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL4772652 0.84 HTR2A (0.32) ALDH1A1ATMPOLBPTGDR2HTR2A
SCHEMBL5697727 0.84 NOTUM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL31245687 0.84 ATM (0.37) ALDH1A1ATMPOLBHTR2ATSHR
SCHEMBL29053325 0.80 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149360-A1 BIQUATERNARY AMMONIUM SALT COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF 西藏海思科制药有限公司 2024-07-18 — — WO claimed
CN-117417338-A Novel BRD4 protein targeted degradation agent, and preparation method and application thereof 中国药科大学 2024-01-19 — — CN claimed
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 — — US claimed
EP-4242210-A1 NEW BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF China Pharmaceutical University (CN) 2023-09-13 — — EP claimed
CN-116253652-A Long-chain fatty acid ester derivative, pharmaceutically acceptable salt and pharmaceutical composition of tapentadol, and preparation method and application thereof 武汉思瓴生物科技有限公司 2023-06-13 — — CN claimed
CN-114456171-A Benzodiazepine medicine for sedation and hypnosis, preparation method and application thereof 中国药科大学 2022-05-10 — — CN claimed
CN-112358483-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2021-02-12 — — CN claimed
CN-119365467-A Aza-tetraepoxy aza compounds and uses thereof 基因泰克公司 2025-01-24 — — CN disclosed
CN-119192183-A Benzodiazepines class of compounds and uses thereof 中国药科大学 2024-12-27 — — CN disclosed
CN-119183377-A Methods and compositions comprising an SHP2 inhibitor and a PD-L1 binding antagonist 基因泰克公司 2024-12-24 — — CN disclosed
CN-119013026-A Combination therapy comprising GDC-6036 and GDC-0077 for the treatment of cancer 基因泰克公司 2024-11-22 — — CN disclosed
CN-118891064-A Conjugation methods involving transglutaminase at FC-regions comprising trimmed N-glycans ADC治疗有限公司 2024-11-01 — — CN disclosed
CN-118510782-A As CaV1.2 Pyridine-3-carboxylic acid ester Compounds of activators 诺华股份有限公司 2024-08-16 — — CN disclosed
US-4764635-A Aromatization process ETHYL CORPORATION (US) 1988-08-16 — — US disclosed
US-4762943-A Aromatization process ETHYL CORPORATION (US) 1988-08-09 — — US disclosed
EP-0256849-A1 Aromatization process ETHYL CORPORATION (US) 1988-02-24 — — EP disclosed
EP-0254422-A1 Aromatization process ETHYL CORPORATION (US) 1988-01-27 — — EP disclosed
EP-0010842-B1 POLYURETHANE FOAM AND METHOD OF PREPARATION THEREOF UNIROYAL LTD. (CA) 1983-09-21 — — EP disclosed
US-4209593-A Semi-flexible shock-absorbing polyurethane foam prepared from a triol, a compound having a single reactive hydrogen, an aromatic polyisocyanate, blowing agent, chain-extender and a catalyst UNIROYAL LTD. (CA) 1980-06-24 — — US disclosed
EP-0010842-A1 Polyurethane foam and method of preparation thereof UNIROYAL LTD. (CA) 1980-05-14 — — EP 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-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA4, GABRA1, GABRA5 ALDH1A1 1744/4885EDNRA 3496/4885TDP1 3109/4885

“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.

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