SCHEMBL21785030

SCHEMBL21785030

CCC(C)c1ccc2c(=O)[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
GRM5 P41594 1/20 0.43
ROCK2 O75116 10/20 0.42
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PRKACA P17612 2/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
ROCK1 Q13464 7/20 0.39
PRKCD Q05655 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
USP2 O75604 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
SCHEMBL2619132 0.86 PARP1 (0.44) PARP1GRM5ROCK2PRKACAPRKACG
SCHEMBL2611070 0.83 PARP1 (0.48) PARP1GRM5ROCK2PRKACAROCK1
SCHEMBL3800711 0.77 SLC6A2 (0.49) USP2ALDH1A1GAAPKMHPGD
SCHEMBL16802193 0.75 CHEK1 (0.36) HDAC4HDAC2HDAC8
SCHEMBL16512907 0.75 CHEK1 (0.36) HDAC4HDAC2HDAC8
SCHEMBL21785110 0.74 ROCK2 (0.47) PARP1GRM5ROCK2PRKACAROCK1
SCHEMBL1696812 0.73 PARP1 (0.48) PARP1GRM5ROCK2PRKACAPRKACG
SCHEMBL3793164 0.73 MEN1 (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL24788381 0.73 PARP1 (0.44) PARP1GRM5ROCK2PRKACAPRKACG
SCHEMBL19365913 0.73 HDAC4 (0.46) HDAC4HDAC2HDAC8USP2ALDH1A1

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
EP-3620460-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-08-16 EP disclosed
US-20200071346-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-05 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-20200071346-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, ORMDL3, OR10J3 PARP1 3001/4885GRM5 2829/4885ROCK2 3333/4885

“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.