SCHEMBL3069825

SCHEMBL3069825

COCOc1cccc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.56
CYSLTR1 Q9Y271 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
TP53 P04637 2/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL3506716 0.94 L3MBTL1 (0.52) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL7516815 0.89 KMT2A (0.48) MRGPRX4CYSLTR1SMN1; SMN2POLBKMT2A
SCHEMBL27825283 0.87 MRGPRX4 (0.47) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL9368628 0.86 ESR1 (0.52) CYSLTR1SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL385706 0.85 RAB9A (0.59) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL30442255 0.85 MAOB (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL3151885 0.85 MAOB (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL644216 0.85 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL31442462 0.85 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL3148484 0.85 KMT2A (0.66) MRGPRX4SMN1; SMN2RAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4631952-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-10-15 EP disclosed
WO-2024149093-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-18 WO disclosed
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2022-02-24 US disclosed
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2022-02-24 US disclosed
US-11197859-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2021-12-14 US disclosed
US-11197859-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2021-12-14 US disclosed
US-11180461-B2 Triazoles as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2021-11-23 US disclosed
EP-2852589-B1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2021-04-28 EP disclosed
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO 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-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A MRGPRX4 184/4885CYSLTR1 104/4885SMN1; SMN2 3506/4885
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors KCNN3, KCND3, KCNA3 MRGPRX4 1334/4885CYSLTR1 901/4885SMN1; SMN2 2927/4885
US-20220054490-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 MRGPRX4 1334/4885CYSLTR1 901/4885SMN1; SMN2 2927/4885
US-11180461-B2 Triazoles as Kv3 inhibitors KCNA3, KCNN3, KCNK3 MRGPRX4 1765/4885CYSLTR1 1965/4885SMN1; SMN2 3663/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 MRGPRX4 291/4885CYSLTR1 610/4885SMN1; SMN2 2674/4885
US-11197859-B2 Hydantoin derivatives useful as Kv3 inhibitors KCNN3, KCND3, KCNA3 MRGPRX4 1334/4885CYSLTR1 901/4885SMN1; SMN2 2927/4885

“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.