SCHEMBL15960729

SCHEMBL15960729

COC(=O)c1cc(C)c(OCCCCl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL10102460 0.89 ALDH1A1 (0.46) TDP1ALDH1A1POLBKDM4EPKM
SCHEMBL1011872 0.87 POLB (0.52) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL1012270 0.87 POLB (0.52) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL12347412 0.85 HTT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18655514 0.85 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25040483 0.84 POLB (0.51) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL4372581 0.84 POLB (0.51) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL1012714 0.82 POLB (0.52) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL1012564 0.82 POLB (0.52) ALDH1A1HTTPOLBPKMMEN1
SCHEMBL19035895 0.80 TDP1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-9353122-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 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 (4 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-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PDGFRB 2819/4885FGFR1 2352/4885PDGFRA 3408/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PDGFRB 2819/4885FGFR1 2352/4885PDGFRA 3408/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PDGFRB 2819/4885FGFR1 2352/4885PDGFRA 3408/4885
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PDGFRB 2819/4885FGFR1 2352/4885PDGFRA 3408/4885

“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.