SCHEMBL19079731

SCHEMBL19079731

CC(C1CC1)n1c(SCC(=O)Nc2ccccc2O)nc2sccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ SLC22A12 Q96S37 10/20 0.49
▸ PDE4D Q08499 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL19079727 0.84 CYP1A2 (0.50) POLBSLC22A12ALDH1A1LMNAMAPT
SCHEMBL19079722 0.83 POLB (0.47) POLBSLC22A12PDE4DLMNA
SCHEMBL19079769 0.82 PDE4D (0.68) POLBSLC22A12PDE4DALDH1A1LMNA
SCHEMBL19079683 0.81 APOBEC3A (0.52) POLBSLC22A12ALDH1A1LMNAMAPT
SCHEMBL19079721 0.81 POLB (0.45) POLBSLC22A12PDE4DLMNAMAPT
SCHEMBL19079772 0.81 KMT2A (0.47) POLBSLC22A12ALDH1A1MAPT
SCHEMBL19079770 0.64 PDE4D (0.71) POLBSLC22A12PDE4DALDH1A1LMNA
SCHEMBL19079691 0.63 PDE4D (1.00) POLBSLC22A12PDE4DALDH1A1LMNA
SCHEMBL24029049 0.62 POLB (0.66) POLBSLC22A12PDE4DALDH1A1
SCHEMBL1945254 0.61 MEN1 (0.55) POLBALDH1A1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — 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 (2 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A POLB 2192/4885SLC22A12 4750/4885PDE4D 6/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A POLB 2192/4885SLC22A12 4750/4885PDE4D 6/4885

“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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