SCHEMBL20021992

SCHEMBL20021992

O=C(c1ccc2ccccc2c1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
LMNA P02545 3/20 0.68
HPGD P15428 3/20 0.68
AKR1C1 Q04828 1/20 0.66
NPC1 O15118 2/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 2/20 0.63
GAA P10253 2/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.63
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PKM P14618 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL31428791 1.00 TSHR (0.68) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL4310722 0.88 TSHR (0.84) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL4494826 0.86 HPGD (0.59) TSHRLMNAHPGDALDH1A1GAA
SCHEMBL7218802 0.85 HPGD (0.73) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL28611983 0.84 CES2 (0.56) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL16302094 0.84 HPGD (0.62) TSHRLMNAHPGDALDH1A1GAA
SCHEMBL14320950 0.84 PKM (0.57) TSHRLMNAHPGDALDH1A1GAA
SCHEMBL10197843 0.83 HPGD (0.71) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL29941490 0.83 HPGD (0.71) TSHRLMNAHPGDAKR1C1NPC1
SCHEMBL1588162 0.82 TSHR (0.69) TSHRLMNAHPGDAKR1C1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
CN-102066339-B 2, 6-diamino-pyrimidin-5-yl-carboxamides as SYK or JAK protein kinase inhibitors PORTOLA PHARM INC 2014-09-24 CN 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 TSHR 1808/4885LMNA 1356/4885HPGD 2056/4885

“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.