SCHEMBL12504656

SCHEMBL12504656

Cc1cc(Cl)cc2c1OCOC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PGR P06401 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11846764 0.81 TSHR (0.45) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL13092269 0.81 ALDH1A1 (0.34) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL12467242 0.79 ALDH1A1 (0.51) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL3052927 0.78 TSHR (0.43) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL9518438 0.78 TSHR (0.43) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL1618788 0.78 SMPD1 (0.39) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL4803010 0.78 ALDH1A1 (0.45) TSHRALDH1A1RAB9ANPC1NPSR1
SCHEMBL12412399 0.77 TSHR (0.40) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL12401760 0.77 TSHR (0.40) TSHRUSP2ALDH1A1KMT2ARAB9A
SCHEMBL13548284 0.77 TSHR (0.49) TSHRUSP2ALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US 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-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C TSHR 4847/4885USP2 4508/4885ALDH1A1 147/4885

“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.