SCHEMBL5841906

SCHEMBL5841906

[NH]c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
PTPN5 P54829 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGLL Q99685 2/20 0.39
CES1 P23141 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
KIF11 P52732 1/20 0.39
PDE2A O00408 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8781830 0.83 CES2 (0.50) CES2PTPN5ALDH1A1KIF11PDE2A
SCHEMBL6061078 0.79 CES2 (0.56) CES2PTPN5ALDH1A1KIF11PDE2A
SCHEMBL2001354 0.78 CES2 (0.55) CES2PTPN5KDM4EALDH1A1HPGD
SCHEMBL10451706 0.76 PDE2A (0.44) CES2PTPN5ALDH1A1PDE2AMEN1
SCHEMBL3946265 0.76 PDE2A (0.44) CES2PTPN5KIF11PDE2ATSHR
SCHEMBL3946738 0.76 CES2 (0.40) CES2PTPN5KDM4EALDH1A1HPGD
SCHEMBL8883394 0.75 KDM1A (0.44) CES2KDM4EALDH1A1KIF11MEN1
SCHEMBL24793381 0.75 CES2 (0.52) CES2PTPN5KDM4EALDH1A1HPGD
SCHEMBL1538943 0.75 PDE2A (0.56) CES2PTPN5KIF11PDE2ACYP3A4
SCHEMBL7601744 0.75 CES2 (0.52) CES2KIF11PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038050-B2 Method for the preparation of highly pure 1-androstene derivatives HANMI PHARM. CO., LTD. (KR) 2006-05-02 US claimed
EP-1646640-A1 METHOD FOR THE PREPARATION OF HIGHLY PURE 1-ANDROSTENE DERIVATIVES Hanmi Pharm. Co., Ltd. (KR) 2006-04-19 EP claimed
US-20050245744-A1 Method for the preparation of highly pure 1-androstene derivatives HANMI PHARM. CO., LTLD. (KR) 2005-11-03 US claimed
WO-2005007670-A1 METHOD FOR THE PREPARATION OF HIGHLY PURE 1-ANDROSTENE DERIVATIVES HANMI PHARM. CO., LTD. (KR) 2005-01-27 WO claimed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0501656-B1 New benzene derivatives having (NGF) production-promoting activity SANKYO CO (JP) 1997-01-22 EP disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP 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-20050245744-A1 Method for the preparation of highly pure 1-androstene derivatives CYP19A1, HSD17B11, CYP17A1 CES2 536/4885PTPN5 2365/4885KDM4E 4514/4885

“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.