SCHEMBL2817033

SCHEMBL2817033

COCC(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 3/20 0.44
ACHE P22303 1/20 0.44
HSD11B1 P28845 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 3/20 0.41
IDO1 P14902 2/20 0.41
MAPK1 P28482 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL396378 0.87 ALDH1A1 (0.46) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL7019649 0.83 ALDH1A1 (0.52) ALDH1A1POLBHSD11B1MAPTMAPK1
SCHEMBL22992359 0.81 ALDH1A1 (0.47) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL18491314 0.81 ALDH1A1 (0.49) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL16246046 0.80 HSD11B1 (0.48) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL6223902 0.79 ALDH1A1 (0.54) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL4190878 0.79 ALDH1A1 (0.41) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL8743939 0.78 SHBG (0.52) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL428785 0.78 ALDH1A1 (0.49) ALDH1A1POLBHSD17B10ACHEHSD11B1
SCHEMBL394201 0.78 LOXL2 (0.52) ALDH1A1POLBHSD17B10ACHEHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230288804-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ALDH1A1 1769/4885POLB 3820/4885HSD17B10 3064/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 ALDH1A1 58/4885POLB 887/4885HSD17B10 487/4885

“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.