SCHEMBL10078992

SCHEMBL10078992

C[C@@]12CCC1C[C@H](Br)[C@H]2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.39
LMNA P02545 5/20 0.39
CYP3A4 P08684 4/20 0.39
SHBG P04278 4/20 0.39
SERPINA6 P08185 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
G6PD P11413 2/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B3 P37058 1/20 0.33
PMP22 Q01453 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 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
SCHEMBL15307854 1.00 GPBAR1 (0.39) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL10078990 1.00 GPBAR1 (0.39) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL10078996 1.00 GPBAR1 (0.39) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL12808102 0.72
SCHEMBL12808100 0.72
SCHEMBL12808167 0.72
SCHEMBL12808166 0.72
SCHEMBL5489583 0.70 GPBAR1 (0.69) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL5530806 0.70 GPBAR1 (0.69) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL1418992 0.70 GPBAR1 (0.69) GPBAR1LMNACYP3A4SHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
WO-2012051988-A2 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-04-26 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 (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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 GPBAR1 216/4885LMNA 681/4885CYP3A4 72/4885

“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.