SCHEMBL3699729

SCHEMBL3699729

CCOC(=O)c1cccc(C)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
METTL3 Q86U44 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
CDC25B P30305 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL11418791 0.86 TSHR (0.63) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL27560434 0.84 CA12 (0.62) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL27993113 0.84 TSHR (0.55) TSHRMETTL3ALDH1A1HSD17B10CA12
SCHEMBL27797134 0.83 TSHR (0.59) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL5082647 0.83 ALDH1A1 (0.70) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL23078360 0.83 TSHR (0.59) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL18395668 0.83 TSHR (0.59) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL24878841 0.83 TSHR (0.59) TSHRMETTL3ALDH1A1HSD17B10CDC25B
SCHEMBL574192 0.81 TSHR (0.68) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL2196615 0.81 PTGS2 (0.55) TSHRALDH1A1HSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TSHR 279/4885METTL3 2784/4885ALDH1A1 422/4885

“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.