SCHEMBL3563735

SCHEMBL3563735

COc1c(C=O)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.61
MCL1 Q07820 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN1 P18031 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40

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
SCHEMBL29052130 0.85 ERN1 (0.47) ERN1MCL1POLBALDH1A1SMN1; SMN2
SCHEMBL9748117 0.82 ERN1 (0.47) ERN1MCL1CA1CA2CYP1A1
SCHEMBL3698426 0.81 POLB (0.46) ERN1MCL1CYP1A1CYP1B1POLB
SCHEMBL28746938 0.81 ERN1 (0.45) ERN1MCL1POLBALDH1A1SMN1; SMN2
SCHEMBL11763980 0.81 MAPT (0.58) ERN1MCL1CYP1A1CYP1B1POLB
SCHEMBL11239147 0.80 ERN1 (0.73) ERN1MCL1CA1CA2CYP1A1
SCHEMBL16055223 0.80 ERN1 (0.48) ERN1CYP1A1CYP1B1POLBKDM4E
SCHEMBL5736579 0.80 CA1 (0.51) ERN1MCL1CA1CA2KDM4E
SCHEMBL28458172 0.78 MAPT (0.63) ERN1MCL1CYP1A1POLBKDM4E
SCHEMBL29729025 0.77 CA1 (0.59) ERN1MCL1CA1CA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344626-A1 THERAPEUTIC COMPOUNDS FOR PAIN AND SYNTHESIS THEREOF Janssen Pharmaceutica N.V. (BE) 2018-07-11 EP claimed
WO-2017040767-A1 THERAPEUTIC COMPOUNDS FOR PAIN AND SYNTHESIS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2017-03-09 WO claimed
CN-106188011-A The ultrasonic synthesis of the ring-type beta-lactam derivant of quaternary based on arylpyrazole skeleton and application 中南民族大学 2016-12-07 CN claimed
CN-113801087-B Benzo-six-membered ring derivatives as DPP-4 inhibitors and uses thereof 山东百极地长制药有限公司 2024-08-30 CN disclosed
CN-113801088-B Benzo six-membered ring derivative and application thereof 山东百极地长制药有限公司 2024-04-26 CN disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
CN-113801088-A Benzo-six-membered ring derivative and application thereof 山东百极地长制药有限公司 2021-12-17 CN disclosed
CN-113801087-A Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof 山东百极地长制药有限公司 2021-12-17 CN disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 WO disclosed
EP-3109703-B1 PHOTOSENSITIZATION CHEMICAL-AMPLIFICATION TYPE RESIST MATERIAL, AND METHOD FOR FORMING PATTERN USING SAME TOKYO ELECTRON LTD (JP) 2020-12-30 EP disclosed
US-4985442-A ANTIINFLAMMATORY, LUNG DISEASES, PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4985435-A TREATMENT OF INFLAMMATION, OBSTRUCTIVE LUNG DISEASES AND PSORIASIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed
US-4906636-A 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
US-4833164-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-23 US disclosed
EP-0201071-A2 2-Substituted-1-naphthols as 5-lipoxygenase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1986-11-12 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0003074-A2 Process for the preparation of 4-(6-methoxy-2-naphthyl)butan-2-one and 2-acetyl-3-(6-methoxy-2-naphthyl) propenoic acid esters BEECHAM GROUP PLC (GB) 1979-07-25 EP disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG ERN1 2749/4885MCL1 4424/4885CA1 772/4885

“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.