SCHEMBL17660596

SCHEMBL17660596

C=C1Nc2cc(C(C)C)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H3 Q13133 1/20 0.31
HPGD P15428 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RNASEH1 O60930 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
SCHEMBL5518756 0.86 HPGD (0.33) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL2705717 0.79 ALOX5 (0.41) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL38657363 0.79 ALOX5 (0.41) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL9918340 0.78 KDM4E (0.34) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL9918337 0.75 MMP12 (0.41) LMNAALDH1A1HTTKMT2ATP53
SCHEMBL9980123 0.73 ALDH1A1 (0.38) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL14804002 0.72 HPGD (0.38) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL15043744 0.71 ACE2 (0.35) LMNAKIF11ALDH1A1GAAMEN1
SCHEMBL9920477 0.71 KDM4E (0.52) ALDH1A1MEN1KMT2AHPGDGFER
SCHEMBL20055074 0.70 PARP1 (0.40) ALDH1A1GAAMEN1KMT2AHPGD

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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 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 (3 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 LMNA 2240/4885TRPA1 4710/4885PTGS1 3305/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS LMNA 2240/4885TRPA1 4710/4885PTGS1 3305/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A LMNA 1527/4885TRPA1 3610/4885PTGS1 2569/4885

“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.