SCHEMBL22183243

SCHEMBL22183243

Clc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c1-2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.37
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
EDNRA P25101 1/20 0.31
TDP2 O95551 1/20 0.31
PGR P06401 1/20 0.31
DNM1 Q05193 1/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL22183082 0.97 PDK2 (0.35) PDK2AKR1A1AKR1B1EDNRADNM1
SCHEMBL21138925 0.91 PDK2 (0.36) PDK2
SCHEMBL15213618 0.91 PDK2 (0.36) PDK2
SCHEMBL22183373 0.91 L3MBTL1 (0.35) PDK2EDNRADNM1
SCHEMBL17816795 0.90 PDK2 (0.35) PDK2
SCHEMBL16810745 0.90 PDK2 (0.35) PDK2
SCHEMBL20232306 0.89 PDK2 (0.35) PDK2
SCHEMBL18457743 0.88 TSPO (0.36) PDK2DNM1
SCHEMBL16810747 0.86 TSPO (0.35) PDK2DNM1
SCHEMBL8784649 0.86 TSPO (0.36) PDK2EDNRADNM1

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-20200212301-A1 SPIROBIFLUORENE DERIVATIVES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-07-02 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-20200212301-A1 SPIROBIFLUORENE DERIVATIVES FOR USE IN ELECTRONIC DEVICES SELE, KCNB2, SCNN1B PDK2 382/4885AKR1A1 1179/4885AKR1B1 894/4885

“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.