SCHEMBL513349

SCHEMBL513349

OCc1ccc(I)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 1/20 0.41
BACE1 P56817 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
ACHE P22303 1/20 0.39
ALOX15 P16050 2/20 0.38
IGF1R P08069 1/20 0.38
TRPA1 O75762 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 2/20 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
SCHEMBL7942390 0.81 KDM4E (0.41) TTRKDM4EMAPTGAAALDH1A1
SCHEMBL29875243 0.80 TSHR (0.38) TTRCA1CA2CA4CA6
SCHEMBL12062549 0.80 TSHR (0.38) TTRCA1CA2CA4CA6
SCHEMBL3577593 0.79 ABAT (0.46) KDM4EMAPTGAAALDH1A1CA1
SCHEMBL257086 0.79 TRPA1 (0.64) TTRKDM4EMAPTALDH1A1ALOX5
SCHEMBL68232 0.77 CA1 (0.67) TTRKDM4EMAPTGAAALDH1A1
SCHEMBL29404315 0.77 CA1 (0.67) TTRKDM4EMAPTGAAALDH1A1
SCHEMBL14575050 0.76 TAAR1 (0.67) KDM4EMAPTGAAALDH1A1BACE1
SCHEMBL14262449 0.76 XDH (0.44) KDM4EMAPTGAAALDH1A1ALOX5
SCHEMBL16569466 0.74 CYP4F2 (0.42) TTRCA2CA4CA6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166644-B1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2019-06-19 EP disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
EP-3166644-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT Adc Biotechnology Ltd (GB) 2017-05-17 EP disclosed
WO-2016005744-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2016-01-14 WO disclosed
WO-2016005744-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2016-01-14 WO disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US 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

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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TTR 1463/4885KDM4E 1415/4885MAPT 3578/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 TTR 2090/4885KDM4E 2004/4885MAPT 2803/4885
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT SBDS, ADCY8, DCK TTR 2472/4885KDM4E 1246/4885MAPT 1520/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 TTR 2690/4885KDM4E 3490/4885MAPT 2573/4885

“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.