SCHEMBL13395480

SCHEMBL13395480

CCOC(=O)c1[nH]c2ccc3occc3c2c1-c1cccnc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ HPGD P15428 5/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KCNA3 P22001 2/20 0.37
▸ TDP2 O95551 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ TUBB4A P04350 2/20 0.36
▸ TUBB P07437 2/20 0.36
▸ TUBA3C P0DPH7 2/20 0.36
▸ TUBA1B P68363 2/20 0.36
▸ TUBA4A P68366 2/20 0.36
▸ TUBB4B P68371 2/20 0.36

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
SCHEMBL12388702 0.83 KCNA3 (0.38) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL13395591 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL829516 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL828877 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL829884 0.79 GAA (0.49) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL13395567 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL13395472 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL13395452 0.79 ACHE (0.40) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL383862 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL388750 0.79 MEN1 (0.48) ALDH1A1KDM4EHPGDNPC1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L ALDH1A1 248/4885KDM4E 405/4885HPGD 1986/4885

“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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