SCHEMBL3247713

SCHEMBL3247713

O=[C]C1(c2ccccc2)OCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC4 P56524 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C1 Q04828 1/20 0.32
OPRM1 P35372 3/20 0.32
OPRL1 P41146 2/20 0.32
OPRK1 P41145 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
MAOB P27338 5/20 0.30
MAOA P21397 4/20 0.30
PNMT P11086 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL13745023 0.69 OPRM1 (0.37) HDAC1HDAC2OPRM1OPRL1OPRK1
SCHEMBL324341 0.65 MEN1 (0.41) MEN1CYP2C9KMT2AAKR1C1OPRM1
SCHEMBL17870655 0.65 OPRM1 (0.34) HDAC1HDAC2OPRM1OPRL1OPRK1
SCHEMBL6189894 0.65 OPRM1 (0.39) HDAC1HDAC2MEN1KMT2AOPRM1
SCHEMBL6253537 0.65 HDAC1 (0.42) HDAC1HDAC2AKR1C1OPRM1OPRL1
SCHEMBL230776 0.65 AKR1C1 (0.45) HDAC1HDAC2HDAC4MEN1KMT2A
SCHEMBL3704068 0.63 AKR1C1 (0.38) HDAC1HDAC2HDAC4AKR1C1OPRM1
SCHEMBL7450867 0.62 AKR1C1 (0.47) HDAC4MEN1KMT2AAKR1C1
SCHEMBL3464616 0.62 AKR1C1 (0.42) HDAC4MEN1CYP2C9KMT2AAKR1C1
SCHEMBL8749501 0.61 CYP1A2 (0.31) MEN1CYP2C9KMT2A

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 HDAC1 90/4885HDAC2 199/4885HDAC4 772/4885

“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.