SCHEMBL6117765

SCHEMBL6117765

COC(=O)c1cccc(CNc2ccc(OC)cc2CC(O)C2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 6/20 0.57
▸ ALDH1A1 P00352 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BLM P54132 1/20 0.40

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
SCHEMBL6117367 0.83 PPM1D (0.48) PPM1DHIF1ASLC7A5LOXL2ABCB1
SCHEMBL9099363 0.77 MEN1 (0.43) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1180032 0.76 LOXL2 (0.53) PPM1DALDH1A1HIF1ASLC7A5LOXL2
SCHEMBL8761904 0.74 CACNA1B (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1180504 0.72 MAPT (0.57) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL15761718 0.72 HIF1A (0.70) ALDH1A1HIF1ALOXL2HDAC8CYP4F2
SCHEMBL15761745 0.71 HIF1A (0.65) HIF1ALOXL2SMN1; SMN2POLBNPC1
SCHEMBL31072837 0.69 HDAC8 (0.57) ALDH1A1HIF1AABCB1ABCG2HDAC8
SCHEMBL15326450 0.69 ALOX15 (0.79) PPM1DALDH1A1ALOX15HDAC8LMNA
SCHEMBL15761754 0.68 HIF1A (0.58) PPM1DALDH1A1HIF1ASLC7A5LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 — — EP disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 — — EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 — — WO 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 PPM1D 2897/4885ALDH1A1 370/4885HIF1A 3324/4885

“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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