SCHEMBL13744808

SCHEMBL13744808

CCCCOC1C2C=CC1C=C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.46
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR5A1 Q13285 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11790150 0.78 GBA1 (0.50) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL16254136 0.76 GBA1 (0.43) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL6518428 0.76 GBA1 (0.43) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL14000935 0.74 GBA1 (0.46) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL5015287 0.74 GBA1 (0.71) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL16254169 0.73 GBA1 (0.42) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL14000859 0.72 GBA1 (0.68) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL14501841 0.72 GBA1 (0.75) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL19479651 0.72 GBA1 (0.75) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL19479653 0.72 GBA1 (0.68) GBA1ADRB2ADRB1ADRB3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-01 US disclosed
US-9556195-B2 Compositions and methods for quadricyclane modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-31 US disclosed
US-7572939-B2 Type of soluble pentacene precursor ACADEMIA SINICA (TW) 2009-08-11 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-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES MYLK2, TOP2A, PYGM GBA1 1719/4885ADRB2 2693/4885ADRB1 3698/4885

“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.