SCHEMBL10020195

SCHEMBL10020195

CC(C)(C)Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
TTR P02766 4/20 0.46
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAPK14 Q16539 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CYP1A2 P05177 4/20 0.39
HIF1A Q16665 4/20 0.39

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
SCHEMBL74682 0.92 ESR1 (0.42) ESR1TTRCHEK1DAPK3RET
Hydrochloric Acid SCHEMBL11680474 0.84 ESR1 (0.36) ESR1TTRCHEK1DAPK3RET
SCHEMBL20437119 0.81 ESR1 (0.38) ESR1
SCHEMBL6349366 0.78 ESR1 (0.50) ESR1MEN1KMT2ACYP1A2HIF1A
SCHEMBL20443843 0.77 TTR (0.42) TTRCHEK1DAPK3RETPDGFRB
SCHEMBL18855312 0.77 CHEK1 (0.42) ESR1TTRCHEK1DAPK3RET
SCHEMBL9248538 0.76 ESR1 (0.48) ESR1MEN1KMT2ACYP1A2HIF1A
SCHEMBL5865868 0.76 ESR1 (0.48) ESR1MEN1KMT2ACYP1A2HIF1A
SCHEMBL10026836 0.75 ESR1 (0.58) ESR1MEN1KMT2ACYP1A2HIF1A
SCHEMBL3238817 0.74 ALDH1A1 (0.68) ESR1MEN1KMT2ACYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091434-B2 Type III deiodinase inhibitors and uses thereof HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2021-08-17 US disclosed
US-10435365-B2 Type III deiodinase inhibitors and uses thereof HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2019-10-08 US disclosed
US-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2018-08-02 US disclosed
US-9731016-B2 Tyrosine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2017-08-15 US disclosed
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS MARINA BIOTECH INC (US) 2016-07-21 US disclosed
US-9339461-B2 Arginine-based lipids for delivery of therapeutics MARINA BIOTECH, INC. (US) 2016-05-17 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS MARINA BIOTECH INC (US) 2015-07-30 US disclosed
US-8877729-B2 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2014-11-04 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20110177160-A1 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2011-07-21 US disclosed
US-20110130327-A1 Multi-Arm Amines and Uses Thereof MARINA BIOTECH, INC. (US) 2011-06-02 US disclosed
US-7939505-B2 Amino acid lipids and uses thereof MARINA BIOTECH, INC. (US) 2011-05-10 US disclosed
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics MDRNA, INC. (US) 2010-05-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
US-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF NASTECH PHARMACEUTICAL COMPANY INC. (US) 2008-12-25 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 (12 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-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ESR1 2200/4885TTR 2412/4885CHEK1 4392/4885
US-20160206739-A1 TYROSINE-BASED LIPIDS FOR DELIVERY OF THERAPEUTICS ABL1, LCK, ERBB2 ESR1 2952/4885TTR 372/4885CHEK1 2853/4885
US-20180215709-A1 TYPE III DEIODINASE INHIBITORS AND USES THEREOF TPO, DPP3, HSD17B3 ESR1 1861/4885TTR 1819/4885CHEK1 3725/4885
US-20080317839-A1 AMINO ACID LIPIDS AND USES THEREOF AADAT, AARS1, ABAT ESR1 3716/4885TTR 156/4885CHEK1 2796/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 ESR1 2200/4885TTR 2412/4885CHEK1 4392/4885
US-20110130327-A1 Multi-Arm Amines and Uses Thereof SNRPE, SNRPA, ADAR ESR1 2883/4885TTR 2923/4885CHEK1 1612/4885
US-20150209283-A1 PROCESSES AND COMPOSITIONS FOR LIPOSOMAL AND EFFICIENT DELIVERY OF GENE SILENCING THERAPEUTICS SLC27A2, LYPLA2, SLC27A1 ESR1 3767/4885TTR 2996/4885CHEK1 4452/4885
US-11091434-B2 Type III deiodinase inhibitors and uses thereof TPO, DPP3, HSD17B3 ESR1 1861/4885TTR 1819/4885CHEK1 3725/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 ESR1 1939/4885TTR 2076/4885CHEK1 4388/4885
US-10435365-B2 Type III deiodinase inhibitors and uses thereof TPO, DPP3, HSD17B3 ESR1 1861/4885TTR 1819/4885CHEK1 3725/4885
US-20100112042-A1 Processes and Compositions for Liposomal and Efficient Delivery of Gene Silencing Therapeutics SLC27A2, LYPLA2, SLC47A2 ESR1 3742/4885TTR 3036/4885CHEK1 4635/4885
US-20110177160-A1 Amino acid lipids and uses thereof AADAT, AARS1, ABAT ESR1 3716/4885TTR 156/4885CHEK1 2796/4885

“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.