SCHEMBL1374474

SCHEMBL1374474

c1cc2ccc3cc[nH]c3c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.54
RIPK1 Q13546 1/20 0.54
AHR P35869 5/20 0.52
PIM3 Q86V86 1/20 0.45
BRD4 O60885 1/20 0.44
TAF1 P21675 1/20 0.44
BRPF1 P55201 1/20 0.44
CREBBP Q92793 1/20 0.44
CECR2 Q9BXF3 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
KEAP1 Q14145 1/20 0.44
PDPK1 O15530 1/20 0.43
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL29591462 1.00 TNF (0.54) TNFRIPK1AHRPIM3BRD4
SCHEMBL23058908 0.84 TNF (0.48) TNFRIPK1AHRPIM3BRD4
SCHEMBL28736127 0.78 MAPT (0.46) TNFRIPK1AHRPIM3PDPK1
SCHEMBL29591846 0.78 MAPT (0.46) TNFRIPK1AHRPIM3PDPK1
SCHEMBL10594346 0.78 TNF (0.43) TNFRIPK1AHRPIM3BRD4
SCHEMBL4417261 0.76 PIM3 (0.41) TNFRIPK1AHRPIM3BRD4
SCHEMBL4424876 0.76 PIM3 (0.41) TNFRIPK1AHRPIM3BRD4
SCHEMBL4419322 0.76 PIM3 (0.41) TNFRIPK1AHRPIM3BRD4
SCHEMBL15741308 0.76 TNF (0.42) TNFRIPK1AHRPIM3BRD4
SCHEMBL1875458 0.76 TNF (0.42) TNFRIPK1AHRPIM3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
US-11780846-B2 Compound, organic electroluminescent device including the same and electronic apparatus WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-10-10 US disclosed
US-11780846-B2 Compound, organic electroluminescent device including the same and electronic apparatus WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-10-10 US disclosed
US-20220105066-A1 Antidotes to Cyanide Poisoning THE GENERAL HOSPITAL CORPORATION 2022-04-07 US disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20200283448-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2020-09-10 US disclosed
US-10411203-B2 Organic electroluminescent element, and lighting device and display device each using same Konica Minolta, Inc. (JP) 2019-09-10 US disclosed
US-20160336522-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHTING DEVICE AND DISPLAY DEVICE EACH USING SAME Konica Minolta, Inc. (JP) 2016-11-17 US disclosed
US-20160336522-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND LIGHTING DEVICE AND DISPLAY DEVICE EACH USING SAME Konica Minolta, Inc. (JP) 2016-11-17 US disclosed
US-9356243-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-05-31 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 TNF 3353/4885RIPK1 3512/4885AHR 988/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 TNF 3353/4885RIPK1 3512/4885AHR 988/4885
US-20200283448-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS GJB2, SLC7A5, GJA1 TNF 1626/4885RIPK1 1464/4885AHR 2698/4885
US-11780846-B2 Compound, organic electroluminescent device including the same and electronic apparatus GJB2, SLC7A5, GJA1 TNF 1626/4885RIPK1 1464/4885AHR 2698/4885
US-20220105066-A1 Antidotes to Cyanide Poisoning OAT, CAT, ABCB7 TNF 4565/4885RIPK1 2551/4885AHR 2341/4885

“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.