SCHEMBL18184993

SCHEMBL18184993

CCOCc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 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
SCHEMBL18184948 0.88 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18184995 0.84 TDP1 (0.47) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL18184998 0.83 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18185045 0.83 LMNA (0.46) SMN1; SMN2TDP1L3MBTL1ALDH1A1LMNA
SCHEMBL18185065 0.83 TDP1 (0.42) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL18185064 0.83 TDP1 (0.42) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL22897899 0.82 SMN1; SMN2 (0.46) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18184988 0.82 TSHR (0.46) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29560427 0.82 SMN1; SMN2 (0.46) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL18185067 0.81 ALDH1A1 (0.56) SMN1; SMN2TDP1L3MBTL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
EP-3088382-A1 METHOD FOR PRODUCING NITRO COMPOUND Sumitomo Chemical Company Limited (JP) 2016-11-02 EP 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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 TSHR 1679/4885SMN1; SMN2 2329/4885HSD17B10 1292/4885

“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.