SCHEMBL3887841

SCHEMBL3887841

Oc1cc2oc3cc(O)c(O)cc3c2cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
MCL1 Q07820 7/20 0.52
KDM4E B2RXH2 4/20 0.52
AKR1B1 P15121 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
MMP1 P03956 1/20 0.52
PTPN1 P18031 1/20 0.52
MAOA P21397 1/20 0.52
FASN P49327 1/20 0.52
GPR35 Q9HC97 1/20 0.48
ALOX15 P16050 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
AHR P35869 1/20 0.46

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
SCHEMBL2318335 0.84 MAOA (0.66) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL3874960 0.83 AHR (0.59) MCL1KDM4EAKR1B1HSD17B10ALDH1A1
SCHEMBL3874881 0.78 EGFR (0.50) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL13672151 0.78 KDM4E (0.50) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL10356788 0.78 AHR (0.64) KDRMCL1KDM4EHSD17B10ALDH1A1
SCHEMBL12544726 0.78 ALOX15 (0.41) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL29370978 0.78 ALOX15 (0.41) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL3876540 0.78 EGFR (0.42) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL31752931 0.77 KDR (0.46) KDRMCL1KDM4EAKR1B1HSD17B10
SCHEMBL6365673 0.75 MCL1 (0.68) KDRMCL1KDM4EAKR1B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
WO-2015175678-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-19 WO disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDR 4095/4885MCL1 3103/4885KDM4E 1549/4885
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB KDR 2592/4885MCL1 1724/4885KDM4E 3074/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 KDR 867/4885MCL1 1750/4885KDM4E 2444/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 KDR 1832/4885MCL1 2611/4885KDM4E 2858/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDR 4095/4885MCL1 3103/4885KDM4E 1549/4885

“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.