SCHEMBL17660604

SCHEMBL17660604

CC(C)c1ccc(N2CC3(CCOCC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ RORC P51449 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LRRK2 Q5S007 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 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
SCHEMBL25018495 0.92 RORC (0.47) ALDH1A1MAPK1RORCSMN1; SMN2KDM4E
SCHEMBL17306117 0.86 MEN1 (0.42) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL17306467 0.84 L3MBTL1 (0.42) ALDH1A1MAPK1RORCSMN1; SMN2KDM4E
SCHEMBL17665073 0.80 LRRK2 (0.49) ALDH1A1MAPK1RORCSMN1; SMN2KDM4E
SCHEMBL14320425 0.80 LRRK2 (0.43) ALDH1A1MAPK1RORCSMN1; SMN2KDM4E
SCHEMBL25018842 0.80 RORC (0.46) ALDH1A1MAPK1RORCSMN1; SMN2KDM4E
SCHEMBL15400504 0.77 AKR1C3 (0.44) ALDH1A1MAPK1RORCSMN1; SMN2LRRK2
SCHEMBL25965618 0.77 AKR1C3 (0.44) ALDH1A1MAPK1RORCSMN1; SMN2LRRK2
SCHEMBL2627852 0.76 ALDH1A1 (0.67) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL21610848 0.76 MEN1 (0.46) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA

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-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — 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-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPK1 1133/4885RORC 2768/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885MAPK1 1133/4885RORC 2768/4885

“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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