SCHEMBL1712745

SCHEMBL1712745

CCOC(=O)c1ccccc1-c1ccc(C(=O)OC)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 6/20 0.46
ERN1 O75460 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL16672740 0.83 TSHR (0.59) TSHRMAPTTP53RAB9AALDH1A1
SCHEMBL410258 0.82 PDK2 (0.51) TSHRMAPTRAB9AALDH1A1GAA
SCHEMBL28486252 0.82 SLC6A3 (0.57) TSHRMAPTRAB9AALDH1A1MEN1
SCHEMBL4911002 0.82 TSHR (0.53) TSHRMAPTRAB9APOLBPKM
SCHEMBL7609489 0.82 CA12 (0.47) TSHRMAPTTP53RAB9APOLB
SCHEMBL3950053 0.81 TSHR (0.69) TSHRMAPTRAB9APOLBPKM
Diethyl Phthalate SCHEMBL21811188 0.81 TSHR (0.75) TSHRMAPTRAB9AALDH1A1MEN1
SCHEMBL70169 0.81 CA12 (0.62) MAPTRAB9APOLBALDH1A1MEN1
SCHEMBL1712768 0.81 TSHR (0.56) TSHRMAPTTP53ALDH1A1MEN1
SCHEMBL29617021 0.81 TSHR (0.80) TSHRMAPTTP53RAB9AALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 US disclosed
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 US disclosed
EP-2345629-B1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2015-06-03 EP disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 US disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 US disclosed
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (US) 2013-10-17 US disclosed
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (US) 2013-10-17 US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 US disclosed
EP-2345629-A1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2011-07-20 EP disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
WO-2010041748-A1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES 日本たばこ産業株式会社 (JP) 2010-04-15 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 (5 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-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC TSHR 4016/4885MAPT 789/4885TP53 447/4885
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof FH, PCK2, PC TSHR 4016/4885MAPT 789/4885TP53 447/4885
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC TSHR 4016/4885MAPT 789/4885TP53 447/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC TSHR 4016/4885MAPT 789/4885TP53 447/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC TSHR 4016/4885MAPT 789/4885TP53 447/4885

“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.