SCHEMBL20392900

SCHEMBL20392900

Clc1ccc2c3ccccc3c3c4ccccc4[nH]c3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 9/20 0.57
▸ CCND1 P24385 9/20 0.57
▸ CCNE2 O96020 5/20 0.57
▸ CCNE1 P24864 5/20 0.57
▸ CDK2 P24941 5/20 0.57
▸ CAMK2B Q13554 5/20 0.57
▸ CAMK2G Q13555 5/20 0.57
▸ CAMK2D Q13557 5/20 0.57
▸ CAMK2A Q9UQM7 5/20 0.57
▸ GABRP O00591 2/20 0.54
▸ GABRD O14764 2/20 0.54
▸ GABRA1 P14867 2/20 0.54
▸ GABRB1 P18505 2/20 0.54
▸ GABRG2 P18507 2/20 0.54
▸ GABRB3 P28472 2/20 0.54
▸ GABRA5 P31644 2/20 0.54
▸ GABRA3 P34903 2/20 0.54
▸ GABRA2 P47869 2/20 0.54
▸ GABRB2 P47870 2/20 0.54
▸ GABRA4 P48169 2/20 0.54

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
SCHEMBL20392899 0.95 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL20392901 0.89 GABRP (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22019241 0.88 CDK4 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL22172225 0.87 CDK4 (0.59) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL31677103 0.81 GABRP (0.67) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29385634 0.81 GABRP (0.67) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL532386 0.81 GABRP (0.67) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL29831925 0.81 GABRP (0.67) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL18435754 0.79 GABRP (0.70) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL30324458 0.79 GABRP (0.70) CDK4CCND1CCNE2CCNE1CDK2

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-20180205022-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2018-07-19 — — 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-20180205022-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OPA1 CDK4 1220/4885CCND1 106/4885CCNE2 96/4885

“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.

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