SCHEMBL2255241

SCHEMBL2255241

CCc1coc2c(-c3ccc(OC)cc3OC)c(C)nn12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.50
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CACNA2D1 P54289 1/20 0.38
POLB P06746 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
SCHEMBL2252782 0.86 CRHR1 (0.47) CRHR1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL1660741 0.76 CRHR1 (0.40) CRHR1
SCHEMBL1924190 0.74 CRHR1 (0.49) CRHR1
SCHEMBL2255140 0.73 CRHR1 (0.47) CRHR1POLB
SCHEMBL12731289 0.71 CRHR1 (0.39) CRHR1TSHRHSD17B10TP53KDM4E
SCHEMBL5447883 0.68 CRHR1 (0.86) CRHR1
SCHEMBL14491028 0.68 CRHR1 (0.86) CRHR1
SCHEMBL11904081 0.68 TP53 (0.40) CRHR1HSD17B10TP53KDM4EALDH1A1
SCHEMBL1237773 0.68 CRHR1 (0.65) CRHR1TSHRHSD17B10TP53KDM4E
SCHEMBL12731288 0.68 TSHR (0.39) CRHR1TSHRHSD17B10TP53KDM4E

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-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 CRHR1 2/4885TSHR 297/4885HSD17B10 2533/4885

“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.