SCHEMBL303556

SCHEMBL303556

CC(C)(O)C(C)(C)OB(O)c1cn[nH]c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31
CYP19A1 P11511 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
SCHEMBL13363152 0.83 KCNH2 (0.32) KCNH2LMNAAPEX1PMP22CYP19A1
SCHEMBL28410691 0.78 KCNH2 (0.37) KCNH2LMNAAPEX1PMP22CYP19A1
SCHEMBL21456288 0.78 KCNH2 (0.31) KCNH2LMNAAPEX1PMP22
SCHEMBL1502646 0.75 CYP19A1 (0.31) CYP19A1
SCHEMBL14994336 0.74
SCHEMBL6004752 0.73 KCNH2 (0.31) KCNH2
SCHEMBL190709 0.72 NUDT1 (0.32)
SCHEMBL18706496 0.72
SCHEMBL16792284 0.72
SCHEMBL574865 0.71 CYP19A1 (0.32) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024184926-A1 PROCESS FOR PREPARATION OF CHIRAL RUXOLITINIB AND SALTS THEREOF AARTI PHARMALABS LIMITED (IN) 2024-09-12 WO claimed
CN-115960121-A Method for synthesizing 1- (3-oxa-cyclobutylcyclo-alkyl) -1H-pyrazole-4-boronic acid pinacol ester 南通药明康德医药科技有限公司 2023-04-14 CN claimed
CN-114805368-A Preparation method of ruktinib 山东诺明康药物研究院有限公司 2022-07-29 CN claimed
CN-114380853-A Preparation method of 4-pyrazole boronic acid pinacol ester 南京焕然生物科技有限公司 2022-04-22 CN claimed
CN-112645878-A N-containing compound with specific response to pressure stimulation, preparation method and application 北京工业大学 2021-04-13 CN claimed
CN-112500580-A Preparation method and application of cobalt-based metal organic framework catalyst for activating oxygen molecules 大连理工大学 2021-03-16 CN claimed
CN-111943959-A Synthetic method of JAK inhibitor 上海再极医药科技有限公司 2020-11-17 CN claimed
CN-110698506-A Synthesis method of pyrazole-4-boronic acid pinacol ester 怀化旺达生物科技有限公司 2020-01-17 CN claimed
EP-4737451-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Dong Wha Pharm. Co., Ltd. (KR) 2026-05-06 EP disclosed
US-12618830-B2 Methods, culture medias and devices for generating embryos in vitro from stem cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2026-05-05 US disclosed
US-20260070919-A1 CRYSTAL FORM OF FIVE-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF BEIJING MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2026-03-12 US disclosed
US-20260062678-A1 CELL REPLACEMENT THERAPY FOR PULMONARY DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2026-03-05 US disclosed
EP-4692367-A1 SCREENING METHOD FOR COMPOUND INDUCING AUTOPHAGY Tohoku University (JP) 2026-02-11 EP disclosed
EP-3891149-B1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2026-01-28 EP disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP disclosed
WO-2007011809-A1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 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 (6 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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 KCNH2 1735/4885LMNA 2178/4885APEX1 1772/4885
US-20260062678-A1 CELL REPLACEMENT THERAPY FOR PULMONARY DISEASES WNT3A, BMP4, GSK3B KCNH2 4764/4885LMNA 989/4885APEX1 4869/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 KCNH2 2626/4885LMNA 1882/4885APEX1 4250/4885
US-12618830-B2 Methods, culture medias and devices for generating embryos in vitro from stem cells POU2F1, POU5F1, POU2F2 KCNH2 1755/4885LMNA 2778/4885APEX1 4219/4885
US-20260070919-A1 CRYSTAL FORM OF FIVE-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF WEE2, WEE1, CYP7B1 KCNH2 1518/4885LMNA 2094/4885APEX1 3353/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 KCNH2 4354/4885LMNA 4453/4885APEX1 3759/4885

“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.