SCHEMBL19174359

SCHEMBL19174359

CC(C)COC(=O)C(C)NCI

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P2RX4 Q99571 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL19174385 0.81 MGAM (0.41) ALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL10771721 0.81 SMN1; SMN2 (0.43) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL19174264 0.80
SCHEMBL19174522 0.79 SMN1; SMN2 (0.39) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL17215175 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL7429232 0.78 TSHR (0.39) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL19174358 0.77 TSHR (0.37) TSHR
SCHEMBL807266 0.76 TSHR (0.45) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL18726371 0.76 TSHR (0.45) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL17011289 0.74 TSHR (0.44) TSHRALDH1A1SMN1; SMN2KDM4EMAPT

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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885ALDH1A1 4577/4885SMN1; SMN2 4228/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885ALDH1A1 4577/4885SMN1; SMN2 4228/4885

“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.