SCHEMBL3250856

SCHEMBL3250856

CC(C)[C](C(C)C)C(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.41
ADRA2C P18825 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL10946615 0.78 CYP2D6 (0.48) CYP2D6KMT2ALMNAADRA2CKDM4E
SCHEMBL2444007 0.77 CYP2D6 (0.54) CYP2D6KMT2ALMNAADRA2CHDAC3
SCHEMBL10582816 0.76 CYP2D6 (0.46) CYP2D6KMT2ALMNAADRA2CKDM4E
SCHEMBL66944 0.76 CYP2D6 (0.73) CYP2D6KMT2ALMNAHDAC3HDAC4
SCHEMBL193565 0.76 CYP2D6 (0.73) CYP2D6KMT2ALMNAHDAC3HDAC4
SCHEMBL5158960 0.76 CYP2D6 (0.73) CYP2D6KMT2ALMNAHDAC3HDAC4
Hydrochloric Acid SCHEMBL10582883 0.74 CYP2D6 (0.70) CYP2D6KMT2ALMNAHDAC3HDAC4
SCHEMBL9636834 0.74 CYP2D6 (0.44) CYP2D6KMT2ALMNAADRA2CKDM4E
Hydrochloric Acid SCHEMBL10872012 0.74 CYP2D6 (0.70) CYP2D6KMT2ALMNAHDAC3HDAC4
SCHEMBL8283809 0.74 CYP2D6 (0.56) CYP2D6KMT2ALMNAHDAC3HDAC4

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
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

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 CYP2D6 2600/4885KMT2A 85/4885LMNA 1519/4885

“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.