SCHEMBL19079891

SCHEMBL19079891

CC(C1CC1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C=CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.44
▸ TSHR P16473 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PDE4D Q08499 1/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 7/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL19079706 0.82 HSD11B1 (0.40) LMNAHPGDRAB9A
SCHEMBL19079705 0.79 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPK1HTT
SCHEMBL19079769 0.79 PDE4D (0.68) ALDH1A1TSHRKDM4EMAPK1HTT
SCHEMBL19079731 0.64 POLB (0.53) ALDH1A1PDE4DLMNAMAPTPOLB
SCHEMBL15503865 0.63 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EMAPK1HTT
SCHEMBL19079707 0.62 PDE4D (0.74) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL15503867 0.61 USP2 (0.78) ALDH1A1TSHRKDM4EMAPK1MEN1
SCHEMBL19079691 0.61 PDE4D (1.00) ALDH1A1TSHRKDM4EPDE4DLMNA
SCHEMBL15503870 0.60 ALDH1A1 (0.56) ALDH1A1KDM4EPDE4DLMNAHSD17B10
SCHEMBL10973099 0.59 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1MEN1KMT2A

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-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 (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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A ALDH1A1 1503/4885TSHR 3082/4885KDM4E 939/4885

“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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