SCHEMBL983738

SCHEMBL983738

O=C(O)C1=Cc2ccccc2CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
KDM1A O60341 1/20 0.41
GPR84 Q9NQS5 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP19A1 P11511 1/20 0.38
TRPA1 O75762 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALOX5 P09917 1/20 0.36
TBXAS1 P24557 1/20 0.35
TSHR P16473 2/20 0.34
GPR183 P32249 1/20 0.34

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
SCHEMBL29427899 1.00 MAOA (0.49) MAOAMAOBSRD5A1SRD5A2KDM1A
Trimethylammonium SCHEMBL10874742 0.93 MAOA (0.44) MAOAMAOBSRD5A1SRD5A2KDM1A
SCHEMBL6756729 0.89 MAOA (0.46) MAOAMAOBSRD5A1SRD5A2KDM1A
SCHEMBL950483 0.82 KDM1A (0.43) MAOAMAOBKDM1AGPR84CYP11B1
SCHEMBL8344638 0.82 MAOB (0.40) MAOAMAOBKDM1AGPR84CYP11B1
SCHEMBL4266857 0.82 MAOA (0.40) MAOAMAOBSRD5A1SRD5A2KDM1A
SCHEMBL1067727 0.82 MAOA (0.59) MAOAMAOBSRD5A1SRD5A2GPR84
SCHEMBL29906826 0.82 MAOA (0.59) MAOAMAOBSRD5A1SRD5A2GPR84
SCHEMBL10647437 0.81 GPR84 (0.43) MAOAMAOBKDM1AGPR84CYP11B1
SCHEMBL15821065 0.79 HDAC6 (0.44) MAOAMAOBKDM1AGPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677659-B Substituted amide compounds useful as farnesoid X receptor modulators 百时美施贵宝公司 2024-09-06 CN claimed
JP-54138551-A None JP disclosed
CN-113677659-B Substituted amide compounds useful as farnesoid X receptor modulators 百时美施贵宝公司 2024-09-06 CN disclosed
EP-4276534-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
US-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2023-10-05 US disclosed
US-10793538-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2020-10-06 US disclosed
US-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-9914717-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors THE BROAD INSTITUTE, INC. (US) 2018-03-13 US disclosed
WO-2016168450-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-10-20 WO disclosed
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS THE BROAD INSTITUTE, INC. 2015-12-24 US disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO disclosed
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
EP-0150711-B1 AZO-PIGMENTS AND PROCESS FOR THEIR PREPARATION DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1989-12-13 EP disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
US-4638052-A WEATHERPROOFING, COLORFASTNESS DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1987-01-20 US disclosed
EP-0150711-A2 Azo-pigments and process for their preparation DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1985-08-07 EP disclosed
US-4212828-A INTERMEDIATES FOR ANTHRACYCLINE ANTIBIOTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-07-15 US disclosed
JP-S54138551-A NOVEL ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE 2-ALKANOYL- 1,2,3,4-TETRAHYDRO-2-NAPHTHOL COMPOUND SUMITOMO CHEM CO LTD 1979-10-27 JP disclosed
US-4022791-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1977-05-10 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-20180215726-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 MAOA 941/4885MAOB 1300/4885SRD5A1 813/4885
US-20150368221-A1 CYCLOALKENYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC7 MAOA 936/4885MAOB 1276/4885SRD5A1 820/4885
US-20230314934-A1 PHOTOACTIVE COMPOUNDS, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS CRY1, CBR3, C1S MAOA 1155/4885MAOB 883/4885SRD5A1 2131/4885
US-10793538-B2 Cycloalkenyl hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC3, HDAC7 MAOA 941/4885MAOB 1300/4885SRD5A1 813/4885

“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.