SCHEMBL2679839

SCHEMBL2679839

CCOc1cc(C=O)ccc1OCOC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.62
▸ TACR2 P21452 1/20 0.59
▸ FDPS P14324 1/20 0.57
▸ MAPT P10636 4/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL4255761 0.93 FDPS (0.64) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL31160627 0.93 FDPS (0.64) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL493684 0.90 ALDH1A1 (0.73) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL30159697 0.90 ALDH1A1 (0.73) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL28927694 0.87 TACR2 (0.64) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL4996828 0.87 ALDH1A1 (0.56) ALDH1A1TACR2FDPSMAPTHPGD
SCHEMBL2850023 0.87 FDPS (0.75) ALDH1A1FDPSMAPTHPGDL3MBTL1
SCHEMBL3394561 0.87 ALDH1A1 (0.70) ALDH1A1FDPSMAPTHPGDTDP1
SCHEMBL31054299 0.87 FDPS (0.75) ALDH1A1FDPSMAPTHPGDL3MBTL1
SCHEMBL12758741 0.86 FDPS (0.60) ALDH1A1TACR2FDPSMAPTHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 — — WO disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 — — US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 — — US disclosed
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — US disclosed
US-20120115128-A1 SELECTIVE PROTEIN LABELING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2012-05-10 — — US disclosed
US-20120115128-A1 SELECTIVE PROTEIN LABELING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2012-05-10 — — US disclosed
US-20120115128-A1 SELECTIVE PROTEIN LABELING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2012-05-10 — — US disclosed
WO-2010129929-A1 SELECTIVE PROTEIN LABELING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-11-11 — — 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 (2 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 ALDH1A1 4468/4885TACR2 2371/4885FDPS 2576/4885
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF ECE1, CMA1, MME ALDH1A1 207/4885TACR2 3828/4885FDPS 887/4885

“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.

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