SCHEMBL20906459

SCHEMBL20906459

C=CCc1ccccc1[C@@H](C)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 4/20 0.45
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HTR1A P08908 2/20 0.40
ADRB3 P13945 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL20906462 1.00 ADRA2C (0.45) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL9806298 0.84 TSHR (0.50) ADRA2CADRA2AADRA2BGABRA1GABRB2
Hydrogen Peroxide SCHEMBL27481344 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL4059911 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL30589993 0.81 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL1501851 0.81 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL11874663 0.81 ADRA2C (0.49) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL3257629 0.78 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL7868559 0.78 ADRA2C (0.47) ADRA2CADRA2AADRA2BGABRA1GABRB2
SCHEMBL8137388 0.77 TSHR (0.45) GABRA1GABRB2TSHRSLC6A2SLC6A4

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-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-23 US disclosed
US-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-23 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-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins YAP1, ICOSLG, SPIN3 ADRA2C 784/4885ADRA2A 1935/4885ADRA2B 1516/4885

“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.