SCHEMBL12370186

SCHEMBL12370186

C[C@]12CCC3C(CC[C@H]4CC(O)CC[C@]34C)C1CCC2OC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
G6PD P11413 2/20 0.54
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54
GABRG3 Q99928 2/20 0.54

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
SCHEMBL11513028 1.00 CYP3A4 (0.54) CYP3A4LMNACYP1A2CYP2C9GABRP
SCHEMBL11513033 1.00 CYP3A4 (0.54) CYP3A4LMNACYP1A2CYP2C9GABRP
SCHEMBL3183215 0.89 LMNA (0.53) LMNAMEN1KMT2AMAPK1CYP19A1
SCHEMBL14360535 0.89 LMNA (0.53) LMNAMEN1KMT2AMAPK1CYP19A1
SCHEMBL11513882 0.83 HSD17B3 (0.48) LMNAMEN1KMT2AMAPK1CYP19A1
SCHEMBL11513878 0.83 HSD17B3 (0.48) LMNAMEN1KMT2AMAPK1CYP19A1
SCHEMBL3366936 0.83 MEN1 (0.67) CYP3A4MEN1KMT2AAKR1B10AKR1B1
SCHEMBL4255342 0.83 MEN1 (0.67) CYP3A4MEN1KMT2AAKR1B10AKR1B1
SCHEMBL3692709 0.83 KMT2A (0.41) LMNAMEN1KMT2ASHBGCYP19A1
SCHEMBL27663532 0.83 KMT2A (0.41) LMNAMEN1KMT2ASHBGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003628-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-23 US disclosed
US-8003628-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-23 US disclosed
US-20090306030-A1 Methods Of Inhibiting Osteoclast Activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-12-10 US disclosed
US-7566741-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-07-28 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-20090306030-A1 Methods Of Inhibiting Osteoclast Activity NFATC1, CD40LG, CD14 CYP3A4 4675/4885LMNA 1103/4885CYP1A2 4582/4885

“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.