SCHEMBL16177697

SCHEMBL16177697

CCCCCCC(Br)c1ccccc1C(Br)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CSNK1E P49674 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
KCNH2 Q12809 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
DNM1 Q05193 2/20 0.39
PPARG P37231 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL16177520 1.00 PRSS1 (0.41) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
Bromide SCHEMBL16177686 0.98 PRSS1 (0.41) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
SCHEMBL16177434 0.98 PRSS1 (0.39) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
SCHEMBL16177608 0.91 ALDH1A1 (0.39) CYSLTR2CYSLTR1KCNH2DNM1PPARG
SCHEMBL21251505 0.91 PRSS1 (0.37) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
SCHEMBL28339211 0.89 ESR1 (0.38) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
SCHEMBL15632882 0.87 TSHR (0.47) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
Hydrogen Sulfide SCHEMBL11761591 0.86 TSHR (0.46) PRSS1PRSS2PRSS3CSNK1ECYSLTR2
SCHEMBL6679062 0.84 ALDH1A1 (0.50) KCNH2MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6684956 0.84 ALDH1A1 (0.50) KCNH2MEN1KMT2AMAPK1SMN1; SMN2

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
EP-2989070-B1 IMPROVED FULLERENE DERIVATIVES AND RELATED MATERIALS, METHODS AND DEVICES MERCK PATENT GMBH (DE) 2019-08-14 EP disclosed
US-20170098775-A1 FULLERENE DERIVATIVES, AND RELATED MATERIALS, METHODS AND DEVICES NANO-C, INC. 2017-04-06 US disclosed
US-20170098775-A1 FULLERENE DERIVATIVES, AND RELATED MATERIALS, METHODS AND DEVICES NANO-C, INC. 2017-04-06 US disclosed
US-9502658-B2 Fullerene derivatives and related materials, methods, and devices NANO-C, INC. (US) 2016-11-22 US disclosed
US-9502658-B2 Fullerene derivatives and related materials, methods, and devices NANO-C, INC. (US) 2016-11-22 US disclosed
US-9502658-B2 Fullerene derivatives and related materials, methods, and devices NANO-C, INC. (US) 2016-11-22 US disclosed
US-20140312281-A1 FULLERENE DERIVATIVES AND RELATED MATERIALS, METHODS, AND DEVICES NANO-C, INC. (US) 2014-10-23 US disclosed
US-20140312281-A1 FULLERENE DERIVATIVES AND RELATED MATERIALS, METHODS, AND DEVICES NANO-C, INC. (US) 2014-10-23 US disclosed
US-20140312281-A1 FULLERENE DERIVATIVES AND RELATED MATERIALS, METHODS, AND DEVICES NANO-C, INC. (US) 2014-10-23 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-20170098775-A1 FULLERENE DERIVATIVES, AND RELATED MATERIALS, METHODS AND DEVICES PPOX, OCIAD2, OCIAD1 PRSS1 4654/4885PRSS2 4462/4885PRSS3 4769/4885

“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.