SCHEMBL4169736

SCHEMBL4169736

Cc1cc(CCl)c2c(c1)COCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 6/20 0.38
RAB9A P51151 4/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.32
ADRB2 P07550 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4150037 0.81 TSHR (0.51) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL3163857 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL13092269 0.78 ALDH1A1 (0.34) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL7087743 0.73 RXFP1 (0.62) ALDH1A1KMT2ARAB9AHPGDMEN1
SCHEMBL12401784 0.72 SMN1; SMN2 (0.38) ALDH1A1HPGDSMN1; SMN2POLBHSD17B10
SCHEMBL13306791 0.72 POLB (0.40) ALDH1A1TSHRHPGDSMN1; SMN2MAPT
SCHEMBL9518879 0.71 RXFP1 (0.35) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL12467242 0.69 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL12504656 0.68 TSHR (0.43) ALDH1A1KMT2ARAB9ATSHRHPGD
SCHEMBL9983491 0.68 HTR2A (0.40) ALDH1A1KMT2ARAB9AMAPK1KDM4E

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
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885KMT2A 4088/4885RAB9A 3084/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R ALDH1A1 1465/4885KMT2A 4088/4885RAB9A 3084/4885

“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.