SCHEMBL4486486

SCHEMBL4486486

c1ccc2c(c1)COOC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 1/20 0.36
LMNA P02545 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
CES1 P23141 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OXTR P30559 1/20 0.33
HSD17B3 P37058 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL30473446 1.00 TSHR (0.42) TSHRMAOAMAOBCA1CA2
SCHEMBL4503274 0.84 TSHR (0.43) TSHRMAOAMAOBCA1CA2
SCHEMBL59871 0.79
SCHEMBL29471383 0.79
Ammonia Solution, Strong SCHEMBL23320033 0.76 MAOA (0.40) TSHRMAOAMAOBCA1CA2
SCHEMBL16439994 0.76
SCHEMBL16519521 0.76 MEN1 (0.46) TSHRCA1CA2CYP1A2NPC1
SCHEMBL4860727 0.74 ABCG2 (0.50) TSHRMAOAMAOBNPC1RAB9A
SCHEMBL730025 0.74
SCHEMBL8710 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20200308154-A1 KU INHIBITORS AND THEIR USE INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-10-01 US disclosed
WO-2017004026-A1 ANTI-CD 123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN, INC. (US) 2017-01-05 WO disclosed
EP-2714685-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX INC (US) 2016-10-19 EP disclosed
EP-2875026-B1 IMIDAZOPYRIDINE DERIVATIVE USED IN THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-09-21 EP disclosed
EP-2729150-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
EP-1755684-B1 ALBUMIN-BINDING CONJUGATES COMPRISING A FATTY ACID AND PEG UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
EP-3053913-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2016-08-10 EP disclosed
US-20160215096-A1 PREPARATION OF IMIDE OLIGOMERS VIA CONCURRENT REACTIVE EXTRUSION POLYONE CORPORATION (US) 2016-07-28 US disclosed
EP-2720697-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-07-20 EP disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed
US-4014906-A Process for the manufacture of anthraquinone compounds CIBA-GEIGY CORPORATION (US) 1977-03-29 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 (4 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 TSHR 1910/4885MAOA 609/4885MAOB 160/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE TSHR 4603/4885MAOA 155/4885MAOB 259/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA TSHR 705/4885MAOA 700/4885MAOB 944/4885
US-20200308154-A1 KU INHIBITORS AND THEIR USE ZFR, XRCC6, ZFX TSHR 4030/4885MAOA 3640/4885MAOB 3303/4885

“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.