SCHEMBL17526417

SCHEMBL17526417

C/C=C(/CC(=O)OC)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KCNK3 O14649 1/20 0.42
POLB P06746 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GAA P10253 1/20 0.42
TYK2 P29597 1/20 0.41
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 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
SCHEMBL15678965 0.82 HPGD (0.53) HPGDERCC5FEN1SMN1; SMN2KMT2A
SCHEMBL3166061 0.80 ERCC5 (0.62) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL10544754 0.77 ERCC5 (0.46) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL19687548 0.74 TSHR (0.50) NPC1RAB9AHPGDLMNATSHR
SCHEMBL13957399 0.74 HPGD (0.41) HPGDERCC5FEN1TSHRSMN1; SMN2
SCHEMBL18508975 0.74 HPGD (0.41) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL13163159 0.72 HPGD (0.58) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL22850233 0.72 HPGD (0.42) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL20879355 0.72 MAOA (0.42) HPGDERCC5FEN1SMN1; SMN2
SCHEMBL9723735 0.71 NPC1 (0.45) NPC1RAB9AHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637384-B2 Fullerene derivatives and their applications in organic photovoltaics NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2017-05-02 US disclosed
US-20160039676-A1 Fullerene Derivatives and Their Applications in Organic Photovoltaics NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (CN) 2016-02-11 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 (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-20160039676-A1 Fullerene Derivatives and Their Applications in Organic Photovoltaics CCND2, CCND1, CCND3 NPC1 1318/4885RAB9A 735/4885HPGD 1864/4885

“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.