SCHEMBL5482008

SCHEMBL5482008

CCCCCc1ccc(N)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.58
PPARA Q07869 1/20 0.57
KDM4E B2RXH2 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL11970251 0.98 PPARA (0.59) SKP2PPARAKDM4ERAB9AMEN1
SCHEMBL2786932 0.86 KDM4E (0.63) SKP2KDM4ERAB9AMEN1POLB
SCHEMBL272366 0.86 KDM4E (0.68) SKP2KDM4ERAB9AMEN1POLB
SCHEMBL1256802 0.85 KAT8 (0.57) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL1315795 0.84 KAT8 (0.59) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL9586309 0.84 KAT8 (0.59) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL8937894 0.84 KAT8 (0.59) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL9001576 0.84 KAT8 (0.59) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL9376917 0.84 KAT8 (0.59) SKP2PPARAKDM4EIGF1RALOX15
SCHEMBL69580 0.82 IGF1R (0.79) PPARAKDM4ERAB9AIGF1RALOX15

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
CN-103491937-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 2-aminophenol and derivatives thereof PROCTER & GAMBLE 2014-01-01 CN claimed
US-8444709-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a 2-aminophenol and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-05-21 US claimed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO claimed
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-8444709-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a 2-aminophenol and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-05-21 US disclosed
WO-2013058816-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A 2-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO disclosed
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
EP-1678170-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS Yang Ji Chemical Company Ltd. (KR) 2006-07-12 EP disclosed
WO-2005033104-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS YANG JI CHEMICAL COMPANY, LTD (KR) 2005-04-14 WO disclosed
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 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 (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-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof TYR, GPX4, TH SKP2 731/4885PPARA 2384/4885KDM4E 1009/4885
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 SKP2 274/4885PPARA 209/4885KDM4E 742/4885

“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.