SCHEMBL17080960

SCHEMBL17080960

O=C1CCc2cc3cc(Cl)ccc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.45
ELOC Q15369 1/20 0.45
ELOB Q15370 1/20 0.45
PBRM1 Q86U86 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP2A6 P11509 1/20 0.41
SRD5A1 P18405 3/20 0.40
SRD5A2 P31213 2/20 0.40
HTT P42858 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
TYMS P04818 1/20 0.38
F7 P08709 1/20 0.38
PARP1 P09874 1/20 0.38
F3 P13726 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL27843801 0.90 MAOA (0.49) VHLELOCELOBCYP2A6MAOA
SCHEMBL27844098 0.90 MAOA (0.49) VHLELOCELOBCYP2A6MAOA
SCHEMBL31029247 0.79 CASP1 (0.59) VHLELOCELOBPBRM1CASP1
SCHEMBL1151032 0.79 PBRM1 (0.59) VHLELOCELOBPBRM1CASP1
SCHEMBL6940637 0.79 CASP1 (0.52) PBRM1CASP1CASP7HSD17B10PTGS2
SCHEMBL28603 0.79 CASP1 (0.59) VHLELOCELOBPBRM1CASP1
SCHEMBL30402712 0.79 CASP1 (0.52) PBRM1CASP1CASP7HSD17B10PTGS2
SCHEMBL29506179 0.79 PBRM1 (0.59) VHLELOCELOBPBRM1CASP1
Hydrochloric Acid SCHEMBL28688881 0.76 CASP1 (0.55) VHLELOCELOBCASP1CASP7
SCHEMBL27844072 0.75 CYP2A6 (0.42) VHLELOCELOBCYP2A6SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 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-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES NCL, SNW1, NEK1 VHL 216/4885ELOC 793/4885ELOB 2136/4885

“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.