SCHEMBL3048314

SCHEMBL3048314

Oc1ccc2c(c1)CCN(Cc1ccc3c(c1)OCO3)C2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP3A4 P08684 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CALM1 P0DP23 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL6975560 0.85 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRMAPK1PKM
SCHEMBL18192340 0.84 ALDH1A1 (0.71) ALDH1A1NPSR1TSHRMAPK1PKM
SCHEMBL18192331 0.79 KMT2A (0.73) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL3054852 0.77 CA9 (0.62) LTA4HCA9ESR1ESR2ABCB1
SCHEMBL10625240 0.76 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRMAPK1MEN1
SCHEMBL4580704 0.76 CMA1 (0.59) ALDH1A1NPSR1TSHRMAPK1PKM
SCHEMBL10675304 0.75 ABCB1 (0.62) LTA4HCA9ABCB1ABCC1ABCG2
SCHEMBL3049161 0.75 CA9 (0.78) ALDH1A1NPSR1CA9KMT2AABCB1
Hydrochloric Acid SCHEMBL11639736 0.75 TSHR (0.52) ALDH1A1NPSR1TSHRMAPK1MEN1
SCHEMBL15139916 0.74 LTA4H (1.00) LTA4H

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
CN-101677993-A Compound (I) STERIX LTD 2010-03-24 CN disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC LTA4H 1769/4885ALDH1A1 1517/4885NPSR1 2125/4885

“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.