SCHEMBL6271995

SCHEMBL6271995

C=CC(F)c1ccccc1C=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 5/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 4/20 0.37
FGF23 Q9GZV9 1/20 0.37
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28242379 0.81 LMNA (0.43) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL476633 0.79 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL10889456 0.79 HPGD (0.42) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL10889468 0.79 HPGD (0.42) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL4893011 0.76 LMNA (0.46) HPGDTSHRLMNAALDH1A1HTT
SCHEMBL14931402 0.73 GABRA1 (0.45) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL14931403 0.73 GABRA1 (0.45) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL4909050 0.71 GABRA1 (0.46) HPGDTSHRHSD17B10LMNAALDH1A1
SCHEMBL7789589 0.71
SCHEMBL6779682 0.71 FGF23 (0.57) HPGDTSHRMAPK1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501859-B1 17a-FLUOROALKYL-11BETA-BENZALDOXIME-STEROIDS, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING SAID STEROIDS AND THE USE THEREOF IN THE PRODUCTION OF MEDICAMENTS SCHERING AG (DE) 2005-10-26 EP claimed
US-6825182-B2 FOR POSTMENOPAUSAL SUBSTITUTION THERAPY OF GYNECOLOGICAL DISEASES, SUCH AS HYSTEROMYOMAS OR DYSMENORRHOIC SYMPTOMS SCHERING AG (DE) 2004-11-30 US claimed
US-20040092492-A1 17alpha-fluoroalkyl-11beta-benzaldoxime steroids, process for their production, pharmaceutical preparations that contain these steroids as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-05-13 US claimed
US-6825182-B2 FOR POSTMENOPAUSAL SUBSTITUTION THERAPY OF GYNECOLOGICAL DISEASES, SUCH AS HYSTEROMYOMAS OR DYSMENORRHOIC SYMPTOMS SCHERING AG (DE) 2004-11-30 US disclosed
US-6825182-B2 FOR POSTMENOPAUSAL SUBSTITUTION THERAPY OF GYNECOLOGICAL DISEASES, SUCH AS HYSTEROMYOMAS OR DYSMENORRHOIC SYMPTOMS SCHERING AG (DE) 2004-11-30 US disclosed
US-20040092492-A1 17alpha-fluoroalkyl-11beta-benzaldoxime steroids, process for their production, pharmaceutical preparations that contain these steroids as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-05-13 US disclosed
US-20040092492-A1 17alpha-fluoroalkyl-11beta-benzaldoxime steroids, process for their production, pharmaceutical preparations that contain these steroids as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-05-13 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-20040092492-A1 17alpha-fluoroalkyl-11beta-benzaldoxime steroids, process for their production, pharmaceutical preparations that contain these steroids as well as their use for the production of pharmaceutical agents CBR1, CYP4B1, CYP21A2 HPGD 636/4885TSHR 266/4885MAPK1 1873/4885

“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.