SCHEMBL7245217

SCHEMBL7245217

CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.49
NR1I2 O75469 2/20 0.48
NR1H4 Q96RI1 2/20 0.46
RORC P51449 1/20 0.42
CDC25A P30304 7/20 0.42
CDC25B P30305 6/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30106435 1.00 LSS (0.49) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL30106436 1.00 LSS (0.49) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL11418481 1.00 LSS (0.49) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL29637459 0.90 NR1I2 (0.49) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL28208065 0.90 NR1I2 (0.49) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL29440355 0.87 NR1H4 (0.48) LSSNR1I2NR1H4RORCCDC25A
SCHEMBL30106433 0.87 NR1I2 (0.62) LSSNR1I2NR1H4RORCMEN1
SCHEMBL16752069 0.87 NR1I2 (0.62) LSSNR1I2NR1H4RORCMEN1
SCHEMBL31274337 0.87 NR1I2 (0.62) LSSNR1I2NR1H4RORCMEN1
SCHEMBL9347158 0.86 NR1I2 (0.52) LSSNR1I2NR1H4RORCCDC25A

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-9427431-B2 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-08-30 US disclosed
US-20120183603-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-07-19 US disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 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 (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-20120183603-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO LSS 1528/4885NR1I2 1410/4885NR1H4 104/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B LSS 1593/4885NR1I2 596/4885NR1H4 978/4885

“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.