SCHEMBL3200833

SCHEMBL3200833

OB(O)c1c(CC(F)(F)F)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SLC2A1 P11166 2/20 0.34
HPRT1 P00492 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28373833 0.80 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL3187628 0.77 ATM (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL11770913 0.77 PTPN22 (0.48)
SCHEMBL28775030 0.77 HSD17B10 (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL3197098 0.76 HSD17B10 (0.38) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL28862756 0.75 PTPN1 (0.39) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL29953029 0.74 HSD17B10 (0.45) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL11377254 0.73 KDM4E (0.39) HSD17B10ALDH1A1TDP1KDM4EMEN1
SCHEMBL2560798 0.73 SLC2A1 (0.48) HSD17B10ALDH1A1TDP1KDM4EMEN1
SCHEMBL2128362 0.72 CYP1A2 (0.52) HSD17B10ALDH1A1CYP2A6TSHRTDP1

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
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
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
WO-2022069421-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-07 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 (3 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-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 HSD17B10 1179/4885ALDH1A1 205/4885CYP2A6 564/4885
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, SELE, CTCF HSD17B10 2107/4885ALDH1A1 705/4885CYP2A6 2245/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 HSD17B10 1179/4885ALDH1A1 205/4885CYP2A6 564/4885

“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.