SCHEMBL3058995

SCHEMBL3058995

O=C(c1ccccc1)N1CCc2cc(O)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
PRKCI P41743 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MIF P14174 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP26A1 O43174 1/20 0.41

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
SCHEMBL12559562 0.85 RAB9A (0.53) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL16494462 0.81 HPGD (0.69) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL3171392 0.81 CA2 (0.51) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL3064345 0.81 TSHR (0.49) ALDH1A1RAB9AMAOBMAOAPRKCI
SCHEMBL3054487 0.80 MAOA (0.58) ALDH1A1MAOBMAOAPDK1PDK2
SCHEMBL11031260 0.78 HPGD (0.69) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL27799699 0.77 MIF (0.43) MAOBMAOAPRKCIGRIN1GRIN2B
SCHEMBL10135988 0.76 HPGD (0.48) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL22713726 0.75 CYP11B1 (0.53) NPC1RAB9AMAOBMAOAPRKCI
SCHEMBL1179680 0.74 ALDH1A1 (0.54) ALDH1A1HPGDNPC1RAB9AGAA

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
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US 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 ALDH1A1 1517/4885HPGD 694/4885HTT 3491/4885

“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.