SCHEMBL31536432

SCHEMBL31536432

O=C(O)CCCOc1ccc2c(c1)CCCN2C(=O)CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ MAPT P10636 5/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ PDK1 Q15118 2/20 0.45
▸ PDK2 Q15119 2/20 0.45
▸ PDK3 Q15120 2/20 0.45
▸ PDK4 Q16654 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTPN11 Q06124 1/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL25415661 1.00 TSHR (0.57) TSHRMAPTNPSR1HPGDPDE3B
SCHEMBL22075942 0.87 TSHR (0.56) TSHRMAPTHPGDHSD17B10PDK1
SCHEMBL30369541 0.87 TSHR (0.56) TSHRMAPTHPGDHSD17B10PDK1
SCHEMBL29040439 0.82 MAPT (0.52) TSHRMAPTHPGDHSD17B10PDK1
SCHEMBL30457845 0.82 MAPT (0.52) TSHRMAPTHPGDHSD17B10PDK1
SCHEMBL30457737 0.81 PDK1 (0.64) TSHRMAPTHPGDHSD17B10PDK1
SCHEMBL22075934 0.81 PARP1 (0.47) TSHRMAPTHSD17B10PDK1PDK2
SCHEMBL22075954 0.81 PARP1 (0.47) TSHRMAPTHSD17B10PDK1PDK2
SCHEMBL21107652 0.81 HSD17B10 (0.70) TSHRMAPTHSD17B10PDK1PDK2
SCHEMBL29440297 0.81 HSD17B10 (0.70) TSHRMAPTHSD17B10PDK1PDK2

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-20250127906-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 UNIVERSITY OF SOUTH CAROLINA 2025-04-24 — — 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-20250127906-A1 SMALL-MOLECULE DEGRADERS OF CDK8 AND CDK19 CDK8, CDK9, CDK18 TSHR 2426/4885MAPT 1598/4885NPSR1 3503/4885

“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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