SCHEMBL7127597

SCHEMBL7127597

O=CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
GLA P06280 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
LMNA P02545 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
Water SCHEMBL10350218 0.98 HSD11B1 (0.42) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL12855161 0.79 HSD11B1 (0.51) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL418510 0.78 HSD11B1 (0.42) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL11760000 0.78 ALDH1A1 (0.42) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL13764831 0.75 TGM2 (0.48) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL4277899 0.73 TGM2 (0.46) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL251840 0.73 HSD11B1 (0.50) HSD11B1L3MBTL1MEN1KMT2ATHRB
Formic Acid SCHEMBL20660413 0.71 ALDH1A1 (0.46) HSD11B1L3MBTL1MEN1KMT2ATHRB
SCHEMBL19557166 0.70 HSD11B1 (0.48) HSD11B1L3MBTL1THRBCYP2C9ALDH1A1
SCHEMBL546352 0.70 HTT (0.48) HSD11B1L3MBTL1MEN1KMT2AALDH1A1

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-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 EP disclosed
EP-0358152-A1 Diazine-substituted 1-adamantanes, process for their preparation, and their use as medicaments Hess, Ulrich, Dr. (DE) 1990-03-14 EP disclosed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US disclosed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US disclosed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HSD11B1 413/4885L3MBTL1 457/4885MEN1 300/4885

“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.