SCHEMBL787550

SCHEMBL787550

COc1ccc(C(=O)O)cc1I

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.69
CA12 O43570 2/20 0.69
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
CA4 P22748 2/20 0.69
CA6 P23280 2/20 0.69
CA7 P43166 2/20 0.69
CA9 Q16790 2/20 0.69
CA14 Q9ULX7 2/20 0.69
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
RAB9A P51151 2/20 0.62
MAPK1 P28482 1/20 0.62
TSHR P16473 4/20 0.59
TTR P02766 2/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL30010958 1.00 TPMT (0.69) TPMTCA12CA1CA2CA4
SCHEMBL27542053 0.93 TPMT (0.61) TPMTCA12CA1CA2CA4
SCHEMBL6436867 0.86 CYP1A2 (0.68) TPMTCA12CA1CA2CA4
SCHEMBL410669 0.85 CA1 (0.69) TPMTCA12CA1CA2CA4
SCHEMBL7943307 0.85 ALDH1A1 (0.54) TPMTCA12CA1CA2CA4
SCHEMBL31704508 0.83 MAPT (0.62) TPMTCA12CA1CA2CA4
SCHEMBL29375601 0.83 TSHR (0.48) TPMTCA12CA1CA2CA4
SCHEMBL29375569 0.83 MAPK1 (0.58) TPMTCA12CA1CA2CA4
SCHEMBL1171023 0.83 MAPT (0.62) TPMTCA12CA1CA2CA4
SCHEMBL6440090 0.83 TSHR (0.48) TPMTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896701-A Synthesis process of Hsp90 inhibitor KU-177 南京中医药大学 2022-01-07 CN claimed
EP-1007528-B1 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF ADVANCED LIFE SCIENCES INC (US) 2003-11-26 EP claimed
US-6225481-B1 REACTING 6-IODO-5,7,4'-TRIMETHOXYFLAVONE AND 5,7-4'-TRIMETHOXY-3'-(TRIMETHYLSTANNYL)FLAVONE IN PRESENCE OF PALLADIUM COMPOUND AND BASE TO PRODUCE ROBUSTAFLAVONE HEXAMETHYL ETHER, DEMETHYLATING TO PRODUCE ROBUSTAFLAVONE ADVANCED LIFE SCIENCES, INC. 2001-05-01 US claimed
EP-1007528-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 2000-06-14 EP claimed
WO-1999010292-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 1999-03-04 WO claimed
US-12630556-B2 Substituted [1,2,4]triazolo[1,5-a]pyrimidin-7-yl compounds as PDE2 inhibitors DART NEUROSCIENCE LLC (US) 2026-05-19 US disclosed
US-20250092047-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2025-03-20 US disclosed
EP-3584239-B1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-09-11 EP disclosed
US-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-06-20 US disclosed
CN-117430609-B Purine derivative compound, preparation method and application thereof 东北农业大学 2024-05-24 CN disclosed
EP-4326269-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS Oregon Health & Science University (US) 2024-02-28 EP disclosed
CN-117430609-A Purine derivative compound, preparation method and application thereof 东北农业大学 2024-01-23 CN disclosed
EP-1079821-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-07 EP disclosed
CN-1274354-A Robustaflavone, intermediates and analogues and method for prepn. method MEDICHEM RES INC (US) 2000-11-22 CN disclosed
EP-1007528-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 2000-06-14 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999065872-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-12-23 WO disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
WO-1999010292-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 1999-03-04 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 (3 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-20240199626-A1 COMPOUNDS WITH IMPROVED CARDIAC SAFETY FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS SMN1; SMN2, MCL1, NLN TPMT 208/4885CA12 4496/4885CA1 4128/4885
US-20250092047-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, TDP2 TPMT 965/4885CA12 3748/4885CA1 2362/4885
US-12630556-B2 Substituted [1,2,4]triazolo[1,5-a]pyrimidin-7-yl compounds as PDE2 inhibitors PDE1A, PDE12, PDE1B TPMT 130/4885CA12 4135/4885CA1 3050/4885

“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.