SCHEMBL29642680

SCHEMBL29642680

O=C(O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.75
ALDH1A1 P00352 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C19 P33261 1/20 0.75
RAB9A P51151 2/20 0.66
AGBL2 Q5U5Z8 1/20 0.58
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CMA1 P23946 1/20 0.53
CYP2D6 P10635 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
SLC6A4 P31645 1/20 0.51

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
SCHEMBL138875 1.00 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL3944098 1.00 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL8838333 0.98 CYP3A4 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL7332204 0.98 CYP3A4 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL2957608 0.92 CYP3A4 (0.65) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
Piperonylic Acid SCHEMBL3936749 0.91 ALDH1A1 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL286952 0.89 ALDH1A1 (0.60) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL7148530 0.87 CYP3A4 (0.72) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL13802498 0.86 RAB9A (0.63) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL31114377 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1CYP1A2CYP2C19RAB9A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112061593-B Multilayer protection inflatable packaging bag with self-adhesive film 潮州市潮安区国强印务有限公司 2024-07-23 CN claimed
CN-116120271-A Genipin derivative and preparation method and application thereof 广东工业大学 2023-05-16 CN claimed
EP-4734977-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF Neucures, Inc. (US) 2026-05-06 EP disclosed
US-20260035381-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2026-02-05 US disclosed
US-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same UNIV PENNSYLVANIA (US) 2025-09-25 US disclosed
WO-2025006675-A9 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-03-13 WO disclosed
WO-2025006675-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-01-02 WO disclosed
WO-2024241318-A1 ACTIVE MACROLIDE ANTIBIOTIC COMPOUNDS AGAINST PATHOGENS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-11-28 WO disclosed
EP-4448515-A1 PLPRO INHIBITORS Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2024-10-23 EP disclosed
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
EP-4408833-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME The Trustees of The University of Pennsylvania (US) 2024-08-07 EP disclosed
CN-112061593-B Multilayer protection inflatable packaging bag with self-adhesive film 潮州市潮安区国强印务有限公司 2024-07-23 CN disclosed
WO-2023114379-A1 PLPRO INHIBITORS HUAHAI US INC. (US) 2023-06-22 WO disclosed
CN-116120271-B Genipin derivative and preparation method and application thereof 广东工业大学 2023-06-20 CN disclosed
CN-116120271-A Genipin derivative and preparation method and application thereof 广东工业大学 2023-05-16 CN disclosed
WO-2023049919-A1 INHIBITORS OF MOLLUSCUM CONTAGIOSUM INFECTION AND METHODS USING THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-03-30 WO disclosed
CN-110885318-B Benzoxazole derivative and preparation method and application thereof 苏州大学 2022-12-23 CN disclosed
CN-111205236-B Naphthalene ring-isoxazole type compound and preparation method and application thereof 贵州医科大学 2022-07-01 CN disclosed
CN-111233766-B Naphthalene ring-pyrazole compound and preparation method and application thereof 贵州医科大学 2022-07-01 CN 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 (2 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-20260035381-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF ADH1C, HTR6, CNR1 CYP3A4 1078/4885ALDH1A1 231/4885CYP1A2 220/4885
US-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same ITCH, EIF2AK2, TBK1 CYP3A4 4591/4885ALDH1A1 3761/4885CYP1A2 4398/4885

“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.