SCHEMBL3278322

SCHEMBL3278322

COc1ccccc1Oc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NFE2L2 Q16236 1/20 0.40
AR P10275 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL103539 0.79 ACHE (0.37) SMN1; SMN2TSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL27599698 0.79 HPGD (0.47) SMN1; SMN2TSHRL3MBTL1HTTALDH1A1
SCHEMBL2649760 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPK1CA12CA1
SCHEMBL5903663 0.77 TSHR (0.40) TSHRALDH1A1ARRAB9AMEN1
SCHEMBL8123025 0.76 KMT2A (0.43) SMN1; SMN2TSHRALDH1A1NFE2L2HPGD
SCHEMBL3278022 0.71 HTR2A (0.43) L3MBTL1ALDH1A1MAPK1ARRAB9A
SCHEMBL13483719 0.71 AR (0.48) SMN1; SMN2TSHRL3MBTL1HTTALDH1A1
SCHEMBL3277478 0.71 PTPN1 (0.40) HTTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3547806 0.71 CA1 (0.52) TSHRL3MBTL1HTTALDH1A1MAPK1
SCHEMBL3284502 0.70 TTR (0.41) L3MBTL1HTTALDH1A1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
CN-100406006-C Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2008-07-30 CN disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA SMN1; SMN2 4106/4885TSHR 4395/4885L3MBTL1 2423/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 SMN1; SMN2 4693/4885TSHR 3122/4885L3MBTL1 4039/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA SMN1; SMN2 975/4885TSHR 4091/4885L3MBTL1 3289/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR SMN1; SMN2 4695/4885TSHR 2963/4885L3MBTL1 3903/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA SMN1; SMN2 4614/4885TSHR 3558/4885L3MBTL1 3310/4885

“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.