SCHEMBL5850271

SCHEMBL5850271

Cc1[c]ccc(C)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
APP P05067 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
AR P10275 5/20 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
SCHEMBL16429878 0.77 ACHE (0.54) HSD17B10ACHEALDH1A1CYP3A4TDP1
SCHEMBL5850268 0.77 HSD17B10 (0.46) HSD17B10ACHEALDH1A1CYP3A4TDP1
SCHEMBL3992773 0.76 ACHE (0.35) HSD17B10ACHEALDH1A1TDP1TSHR
SCHEMBL10860408 0.73 ACHE (0.46) HSD17B10ACHEALDH1A1CYP3A4CA12
SCHEMBL17180554 0.73 TAAR1 (0.38) HSD17B10ALDH1A1CYP3A4TDP1MAPT
SCHEMBL1980538 0.73 ACHE (0.36) ACHEALDH1A1MEN1KMT2ANPC1
SCHEMBL439377 0.72 BRD4 (0.37) HSD17B10ACHEALDH1A1TSHRMAPT
SCHEMBL21274904 0.72 ACHE (0.57) HSD17B10ACHEALDH1A1CYP3A4TDP1
SCHEMBL5842582 0.71 ALDH1A1 (0.53) HSD17B10ACHEALDH1A1CYP3A4TDP1
SCHEMBL28952404 0.71 HSD17B10 (0.47) HSD17B10ACHEALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101831-B2 Compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB AG (DE) 2006-09-05 US claimed
EP-1417287-A1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICUALR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF Fuchs Petrolub AG (DE) 2004-05-12 EP claimed
US-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB SE (DE) 2003-10-02 US claimed
WO-2001053438-A1 NOVEL COMPOSITIONS OF MATERIAL, ESPECIALLY LUBRICANTS AND PRESSURE TRANSMITTING MEANS, THE PRODUCTION AND USE THEREOF FUCHS PETROLUB AG (DE) 2001-07-26 WO claimed
EP-1417287-B1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICULAR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF FUCHS PETROLUB AG (DE) 2012-12-12 EP disclosed
US-7101831-B2 Compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB AG (DE) 2006-09-05 US disclosed
EP-1417287-A1 NOVEL COMPOSITIONS CONTAINING ACETOXYLATED FATTY ACIDS OR FATTY ACID DERIVATES, IN PARTICUALR LUBRICANT AND PRESSURE TRANSMITTING COMPOSITIONS, THE PREPARATION AND USE THEREOF Fuchs Petrolub AG (DE) 2004-05-12 EP disclosed
US-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof FUCHS PETROLUB SE (DE) 2003-10-02 US disclosed
WO-2001053438-A1 NOVEL COMPOSITIONS OF MATERIAL, ESPECIALLY LUBRICANTS AND PRESSURE TRANSMITTING MEANS, THE PRODUCTION AND USE THEREOF FUCHS PETROLUB AG (DE) 2001-07-26 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 (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-20030186823-A1 Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof SLC27A2, SLC27A1, ELOVL1 HSD17B10 444/4885ACHE 3743/4885ALDH1A1 973/4885

“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.