SCHEMBL474149

SCHEMBL474149

c1ccc2c(c1)ccc1ccnnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP2A6 P11509 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPRT1 P00492 1/20 0.42
PLAU P00749 2/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CYP3A4 P08684 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 4/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
Perchlorate SCHEMBL11197110 0.91 ALDH1A1 (0.38) ALDH1A1TDP1CYP2A6TSHRHSD17B10
Benzoquinone SCHEMBL28784465 0.89 PAX8 (0.37) ALDH1A1TDP1CYP2A6TSHRHSD17B10
Perchlorate SCHEMBL11197108 0.88 PLAU (0.39) ALDH1A1TDP1CYP2A6TSHRHSD17B10
SCHEMBL5429934 0.86 ALDH1A1 (0.41) ALDH1A1TDP1CYP2A6TSHRHSD17B10
SCHEMBL241542 0.82 ALDH1A1 (0.40) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL29456717 0.82 ALDH1A1 (0.40) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL28700411 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP2A6TSHRHSD17B10
SCHEMBL18099779 0.78 CLK1 (0.56) KDM4EHTTTNF
SCHEMBL18099783 0.77 IMPDH2 (0.44) ALDH1A1CYP3A4LMNAKDM4ECYP2D6
SCHEMBL710195 0.76 LMNA (0.67) ALDH1A1TDP1TSHRCYP3A4NPC1

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 355 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117596915-A Electron transport layer and organic electroluminescent device 季华实验室 2024-02-23 CN claimed
WO-2022212367-A1 STABILIZED BORON ANIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-10-06 WO claimed
US-20140349843-A1 Structured Cathode Catalysts for Fuel Cell Application Derived From Metal-Nitrogen-Carbon Precursors, Using Hierarchically Structured Silica as a Sacrificial Support STC.UNM (US) 2014-11-27 US claimed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
WO-2013040567-A2 STRUCTURED CATHODE CATALYSTS FOR FUEL CELL APPLICATION DERIVED FROM METAL-NITROGEN-CARBON PRECURSORS, USING HIERARCHICALLY STRUCTURED SILICA AS A SACRIFICIAL SUPPORT STC.UNM (US) 2013-03-21 WO claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
WO-2010046190-A2 TRICYCLIC ALDEHYDES AND C,H ACIDIC COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-04-29 WO claimed
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2008-12-11 US claimed
EP-1965753-A1 REVERSIBLY CHANGEABLE HAIR COLOR Henkel AG & Co. KGaA (DE) 2008-09-10 EP claimed
WO-2007073922-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2007-07-05 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed
US-5756650-A COMPOSITION COMPRISING POLYAMIC ACID, CURE ACCELERATOR SELECTED FROM GROUP CONSISTING OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AMINO ACID COMPOUND, AROMATIC COMPOUND HAVING TWO OR MORE HYDROXYL GROUPS KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-26 US claimed
EP-0457386-B1 Process for the preparation of a secondary amine and catalysts therefor SHELL INT RESEARCH (NL) 1994-12-14 EP claimed
EP-0190367-B1 BENZO ADH BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-17 EP claimed
US-4782057-A ANTIDOTES FOR OVERSEDATION, ANXIOLYTICS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-11-01 US claimed
EP-0190367-A1 BENZO ADh BDCINNOLINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MECIDINAL COMPOSITION CONTAINING THEM Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-08-13 EP claimed
JP-1193222-A None JP disclosed
US-4172858-A Flame-resistant polymer compositions CIBA-GEIGY AG (CH) 1979-10-30 US disclosed
US-4163731-A HYDRAULIC FLUIDS CIBA-GEIGY AG (CH) 1979-08-07 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 (1 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-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR TYR, CBR3, COXFA4L2 ALDH1A1 78/4885TDP1 3675/4885CYP2A6 171/4885

“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.