SCHEMBL1713095

SCHEMBL1713095

O=C(CO)N1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
NAMPT P43490 1/20 0.38
EPHX2 P34913 1/20 0.38
AKR1C3 P42330 1/20 0.37
RAB9A P51151 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
PDK2 Q15119 1/20 0.36
BRD4 O60885 1/20 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
SCHEMBL16761944 0.87 NAMPT (0.51) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL3429930 0.87 TACR3 (0.42) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL1713090 0.84 ALOX5 (0.42) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL3401956 0.83 NCF1 (0.45) ALDH1A1NPC1NAMPTTPSAB1TPSD1
SCHEMBL12424480 0.83 ALDH1A1 (0.42) ALDH1A1NPC1GNAI3GNAO1GNAI1
SCHEMBL14311847 0.83 CPN1 (0.49) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL18894212 0.83 ALOX5 (0.41) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL621450 0.83 EPHX2 (0.50) ALOX5ALDH1A1NPC1GNAI3GNAO1
SCHEMBL4578083 0.79 ITGB3 (0.43) ALOX5ALDH1A1NPC1ITGB3ITGA2B
SCHEMBL2414976 0.79 ALOX5 (0.43) ALOX5ALDH1A1NPC1ITGB3ITGA2B

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-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-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-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
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

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 ALOX5 2010/4885ALDH1A1 1793/4885NPC1 461/4885
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof FH, PCK2, PC ALOX5 2010/4885ALDH1A1 1793/4885NPC1 461/4885
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC ALOX5 2010/4885ALDH1A1 1793/4885NPC1 461/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC ALOX5 2010/4885ALDH1A1 1793/4885NPC1 461/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC ALOX5 2010/4885ALDH1A1 1793/4885NPC1 461/4885

“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.