SCHEMBL7469828

SCHEMBL7469828

C=CC(=O)c1ccccc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.64
CTSD P07339 1/20 0.55
GPR52 Q9Y2T5 1/20 0.54
ABCB1 P08183 1/20 0.54
STAT3 P40763 1/20 0.51
MAOB P27338 2/20 0.51
NPC1 O15118 3/20 0.50
AR P10275 2/20 0.50
HTT P42858 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
SMN1; SMN2 Q16637 1/20 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
SCHEMBL31561740 1.00 ABCG2 (0.64) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL11600627 0.89 ABCG2 (0.53) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL31167606 0.86 ABCG2 (0.77) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL1697561 0.84 ABCG2 (0.64) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL29954715 0.84 ABCG2 (0.64) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL9178467 0.84 ABCG2 (0.64) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL28611217 0.83 AKT1 (0.50) ABCG2GPR52ABCB1HTTSMN1; SMN2
Acrylic Acid SCHEMBL27869582 0.83 HTT (0.64) ABCG2CTSDSTAT3NPC1HTT
SCHEMBL15821571 0.82 ABCG2 (0.62) ABCG2CTSDGPR52ABCB1STAT3
SCHEMBL7828569 0.82 ABCG2 (0.62) ABCG2CTSDGPR52ABCB1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118179615-A Preparation method of modified cation exchange resin for caprolactam purification 衢州巨化锦纶有限责任公司 2024-06-14 CN claimed
CN-118179615-A Preparation method of modified cation exchange resin for caprolactam purification 衢州巨化锦纶有限责任公司 2024-06-14 CN disclosed
US-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-14 US disclosed
US-9771592-B2 Methods and compositions for treating or preventing pruritis THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-09 US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 US disclosed
WO-2009066298-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2009-05-28 WO disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 US disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO disclosed
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 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 (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-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ABCG2 1567/4885CTSD 432/4885GPR52 2418/4885
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MRGPRX1, MRGPRX2, MRGPRX4 ABCG2 4086/4885CTSD 4367/4885GPR52 31/4885
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ABCG2 1567/4885CTSD 432/4885GPR52 2418/4885
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 ABCG2 1567/4885CTSD 432/4885GPR52 2418/4885

“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.