SCHEMBL1318328

SCHEMBL1318328

COC(=O)c1ccc(I)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.54
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
MAOB P27338 1/20 0.48
APP P05067 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MCL1 Q07820 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6680832 0.89 HPGD (0.51) HPGDLMNAAPPSMN1; SMN2KDM4E
SCHEMBL7910931 0.87 HTT (0.53) LMNAMAOBAPPSMN1; SMN2RAB9A
SCHEMBL3744492 0.86 FFAR4 (0.46) FFAR4HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL16624239 0.86 MAOB (0.61) MAOBAPPSMN1; SMN2MCL1MAPT
SCHEMBL3962253 0.86 MAOB (0.61) FFAR4HPGDLMNAMAOBSMN1; SMN2
SCHEMBL1316057 0.85 MCL1 (0.56) MAOBAPPSMN1; SMN2KDM4EALDH1A1
SCHEMBL11557673 0.84 KDM4E (0.60) FFAR4HPGDLMNAMAOBAPP
SCHEMBL27696681 0.84 MAOB (0.44) HPGDLMNAMAOBAPPSMN1; SMN2
SCHEMBL14891403 0.83 FFAR4 (0.54) FFAR4HPGDLMNAALDH1A1SMPD1
SCHEMBL21434703 0.83 PTGER1 (0.57) FFAR4HPGDLMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11426714-B2 Metal organic frameworks (MOFs) and methods of synthesizing and using the same VIETNAM NATIONAL UNIVERSITY HO CHI MINH CITY (VN) 2022-08-30 US disclosed
US-20210162388-A1 METAL ORGANIC FRAMEWORKS (MOFs) AND METHODS OF SYNTHESIZING AND USING THE SAME Center for Innovative Materials and Architectures (VN) 2021-06-03 US disclosed
US-10875844-B2 Salicylate inhibitors of MELK and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-29 US disclosed
US-10875844-B2 Salicylate inhibitors of MELK and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-29 US disclosed
CN-104302387-B Metal organic framework with exceptionally large pore openings 加利福尼亚大学董事会 2019-06-18 CN disclosed
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
US-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2018-06-21 US disclosed
US-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2018-06-21 US disclosed
US-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2018-06-21 US disclosed
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7829588-B2 Modulators of the PPAR-type receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-09 US disclosed
EP-2222648-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS AstraZeneca AB (SE) 2010-09-01 EP disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
WO-2009067081-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2009-05-28 WO disclosed
EP-1694669-B1 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2007-04-11 EP disclosed
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-03-08 US disclosed
EP-1694669-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005058844-A2 NOVEL COMPOUNDS WHICH ARE MODULATORS OF THE PPAR-TYPE RECEPTORS AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-30 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 (5 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-20180170912-A1 SALICYLATE INHIBITORS OF MELK AND METHODS OF USE MELK, HIPK3, MINK1 FFAR4 4573/4885HPGD 4010/4885LMNA 1670/4885
US-20070054907-A1 Peroxisome Proliferator-Activated Receptor (PPAR) receptor modulators such as Ethyl(4-{4-[5-(4-tert-butylphenyl)-4-methyl-4H-[1,2,4]-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetate, used in dermatology, cardiovascular diseases, immunology and/or diseases linked to lipid metabolism PPARG, PPARA, PPARD FFAR4 5/4885HPGD 663/4885LMNA 3741/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 FFAR4 2368/4885HPGD 1236/4885LMNA 546/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 FFAR4 645/4885HPGD 3366/4885LMNA 4207/4885
US-10875844-B2 Salicylate inhibitors of MELK and methods of use MELK, HIPK3, MINK1 FFAR4 4573/4885HPGD 4010/4885LMNA 1670/4885

“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.