SCHEMBL21648511

SCHEMBL21648511

O=C1C=C2CCCC[C@]23OC[C@H]2c4[nH]c5ccccc5c4CCN2[C@@H]3C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 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
SCHEMBL21648518 0.75 CHRNA7 (0.42) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648536 0.75 CHRNA7 (0.42) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648535 0.75 CHRNA7 (0.42) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648521 0.74 CHRNA7 (0.45) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648522 0.74 CHRNA7 (0.45) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648520 0.69 CYP2D6 (0.38) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL14364159 0.66 CHRNA7 (0.55) PDE5ACYP1A2PRKCBCYP1A1CYP1B1
SCHEMBL21648510 0.66 CHRNA7 (0.43) PDE5ACYP1A2ADRA1DADRA1AADRA1B
SCHEMBL21648542 0.66 CHRNA7 (0.43) PDE5ACYP1A2ADRA1DADRA1AADRA1B
SCHEMBL14364156 0.65 ADRA1D (0.51) PDE5ACYP1A2PRKCBCYP1A1CYP1B1

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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof UNIVERSITY OF SHARJAH (AE) 2021-06-17 — — US disclosed
WO-2020021489-A2 DISCOVERY OF NOVEL FIRST IN CLASS NATURE-INSPIRED COMPOUNDS TARGETING THE MITOCHONDRIAL FUNCTION AND PHARMACEUTICAL COMPOSITION THEREOF UNIVERSITY OF SHARJAH (AE) 2020-01-30 — — WO 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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof NDUFAB1, TFAM, CS PDE5A 2176/4885CYP1A2 850/4885PRKCB 1304/4885

“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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