SCHEMBL601036

SCHEMBL601036

[CH2]C(c1ccccc1CC=C)c1ccccc1CC=C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
ADRA2C P18825 4/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
LMNA P02545 2/20 0.36
HTR1A P08908 2/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6269535 0.85 GABRA1 (0.46) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL11874663 0.83 ADRA2C (0.49) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL1501851 0.83 ADRA2C (0.49) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL3257654 0.81 ADRA2C (0.41) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL11358599 0.81 ADRA2C (0.45) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL29763626 0.80 GABRA1 (0.56) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL173300 0.80 GABRA1 (0.56) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL9630707 0.79 ADRA2C (0.40) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL3257629 0.79 ADRA2C (0.47) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL30589993 0.79 ADRA2C (0.47) GABRA1GABRB2ADRA2CADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 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-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery F9, FGB, TFPI GABRA1 145/4885GABRB2 150/4885ADRA2C 1840/4885

“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.