SCHEMBL2977414

SCHEMBL2977414

COC1(c2ccccc2)COc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ADRA2A P08913 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
OXTR P30559 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL14182625 0.75 OXTR (0.39) OXTR
SCHEMBL9033971 0.74 OXTR (0.37) OPRM1CYP2C9MEN1KMT2AOXTR
SCHEMBL29224818 0.73 CYP3A4 (0.39) MAPTMEN1KMT2A
SCHEMBL6063539 0.71 OPRL1 (0.36) OPRM1OPRL1OPRD1OPRK1OXTR
SCHEMBL28452149 0.71 ALOX5 (0.49) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL7971051 0.70 OXTR (0.39) OXTR
SCHEMBL236649 0.69 OXTR (0.42) KMT2AOXTR
SCHEMBL13876257 0.68 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1SCD5
SCHEMBL8990286 0.67 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1CYP1A2
SCHEMBL28644317 0.66 OXTR (0.39) KMT2AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255989-A1 GLYCAN COMPOSITIONS AND USES THEREOF DSM NUTRITIONAL PRODUCTS LLC (US) 2023-08-17 US disclosed
US-11229660-B2 Glycan therapeutics and method of treating conditions associated with TMAO KALEIDO BIOSCIENCES, INC. (US) 2022-01-25 US disclosed
WO-2021117016-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATION WITH STEROIDS AND A MODULATOR BUZZELET DEVELOPMENT AND TECHNOLOGIES LTD. (IL) 2021-06-17 WO disclosed
US-20210137956-A1 GLYCAN COMPOSITIONS AND USES THEREOF HERCULES CAPITAL, INC. 2021-05-13 US disclosed
US-20210113596-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF KALEIDO BIOSCIENCES, INC. (US) 2021-04-22 US disclosed
US-10881676-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2021-01-05 US disclosed
US-10702542-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2020-07-07 US disclosed
US-20200093851-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2020-03-26 US disclosed
US-20200093845-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2020-03-26 US disclosed
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
US-20170246201-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2017-08-31 US disclosed
US-20170151269-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2017-06-01 US disclosed
US-20170151268-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF HERCULES CAPITAL, INC. 2017-06-01 US disclosed
US-9492473-B2 Glycan therapeutics and related methods thereof KALEIDO BIOSCIENCES, INC. (US) 2016-11-15 US disclosed
US-20160213702-A1 GLYCAN THERAPEUTICS AND RELATED METHODS THEREOF KALEIDO BIOSCIENCES, INC. (US) 2016-07-28 US disclosed
US-20150150770-A1 METHODS OF TREATING SKIN TRACIE MARTYN INTERNATIONAL INC (US) 2015-06-04 US disclosed
US-20140155961-A1 METHODS OF TREATING SKIN Tracie Martyn International, Inc. (US) 2014-06-05 US disclosed
US-20100272790-A1 Methods of Treating Skin TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-10-28 US disclosed
US-7776915-B2 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2010-08-17 US disclosed
US-20060216251-A1 Topical formulations and methods of use TRACIE MARTYN INTERNATIONAL, LLC (US) 2006-09-28 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-20140155961-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT OPRM1 4874/4885OPRL1 3693/4885OPRD1 4428/4885
US-20100272790-A1 Methods of Treating Skin CUTA, LIPA, DLAT OPRM1 4874/4885OPRL1 3693/4885OPRD1 4428/4885
US-20150150770-A1 METHODS OF TREATING SKIN CUTA, LIPA, DLAT OPRM1 4874/4885OPRL1 3693/4885OPRD1 4428/4885
US-20060216251-A1 Topical formulations and methods of use CPT1B, SLC25A20, CPT1A OPRM1 4785/4885OPRL1 3423/4885OPRD1 3874/4885

“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.