SCHEMBL18807117

SCHEMBL18807117

CC[C@H](N)C(=O)OCCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 12/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32

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
SCHEMBL20305843 0.96 STAT3 (0.48) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345495 0.91 STAT3 (0.49) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345494 0.90 STAT3 (0.48) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345462 0.90 STAT3 (0.48) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345471 0.89 STAT3 (0.52) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL17345490 0.88 STAT3 (0.46) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL18731408 0.88 STAT3 (0.49) STAT3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18731409 0.88 STAT3 (0.49) STAT3ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL18730823 0.88 STAT3 (0.56) STAT3ALDH1A1MAPTSMN1; SMN2APAF1
SCHEMBL18731248 0.88 STAT3 (0.45) STAT3ALDH1A1MAPTSMN1; SMN2APAF1

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-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 — — US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 — — 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-20170121299-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885MAPT 4391/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885

“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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