SCHEMBL3196196

SCHEMBL3196196

OB(O)c1ccc2c(c1)NCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 1/20 0.57
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PRKCI P41743 1/20 0.41
BRD4 O60885 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
FABP6 P51161 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
ENPP2 Q13822 2/20 0.36
PTGER3 P43115 1/20 0.36
AR P10275 1/20 0.34
USP9X Q93008 1/20 0.34

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
SCHEMBL29955462 0.86 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL33867 0.77 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL29355887 0.77 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
Hydrochloric Acid SCHEMBL31200757 0.75 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL9796104 0.75 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Bromide SCHEMBL31327838 0.75 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Bromide SCHEMBL303149 0.75 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
Hydrochloric Acid SCHEMBL31327837 0.75 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL121851 0.74 TSHR (0.46) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL18708235 0.73 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US claimed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 US disclosed
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US disclosed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP disclosed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US disclosed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 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 (6 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4200/4885GAA 1899/4885HSD17B10 4774/4885
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885GAA 2782/4885HSD17B10 1179/4885
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ALDH1A1 4290/4885GAA 1023/4885HSD17B10 2209/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885GAA 2782/4885HSD17B10 1179/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885GAA 1861/4885HSD17B10 4780/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN ALDH1A1 4181/4885GAA 1861/4885HSD17B10 4780/4885

“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.