SCHEMBL5458729

SCHEMBL5458729

CC(C)(C)CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
SRD5A2 P31213 5/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL3242580 0.84 MAPT (0.56) TSHRALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL8604333 0.83 HSD17B3 (0.55) ALDH1A1HPGD
SCHEMBL507049 0.83 NPC1 (0.58) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6966057 0.82 MAPT (0.63) ALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL12243016 0.81 RAB9A (0.61) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL11989218 0.81 NPC1 (0.55) ALDH1A1SMN1; SMN2CA1CA2HPGD
SCHEMBL10453790 0.81 HAO1 (0.46) ALDH1A1SMN1; SMN2ALOX15MEN1KMT2A
SCHEMBL14041429 0.81 LMNA (0.46) TSHRALDH1A1MEN1CYP1A2KMT2A
SCHEMBL10021822 0.81 TPMT (0.46) CA1CA2TPMT
SCHEMBL10452926 0.81 GSK3B (0.57) TSHRALDH1A1CA1CA2ALOX15

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-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 TSHR 3553/4885TP53 1214/4885SRD5A2 4465/4885

“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.