SCHEMBL4969775

SCHEMBL4969775

Cc1c(C(=O)O)cccc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.49
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
HTR2C P28335 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 1/20 0.42
GPR35 Q9HC97 2/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ALOX15 P16050 1/20 0.41
MYC P01106 2/20 0.41
MEN1 O00255 1/20 0.40
AKR1B10 O60218 1/20 0.40

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
SCHEMBL13646083 0.89 HTR2C (0.61) NOTUMHTR2C
SCHEMBL8487411 0.87 TSHR (0.45) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL27844611 0.87 NOTUM (0.43) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL17133909 0.85 GRM7 (0.46) NOTUMALDH1A1KDM4EHPGDHTR2C
SCHEMBL4443008 0.85 HTR2C (0.43) NOTUMHTR2CGPR35MEN1KMT2A
SCHEMBL2018865 0.84 TSHR (0.42) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL457994 0.84 HTR2C (0.42) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL2517988 0.83 TSHR (0.41) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL5257015 0.82 TSHR (0.39) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL16950958 0.81 HTR2C (0.46) NOTUMHTR2C

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-20080312206-A1 Chemical Compounds-149 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1966174-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071955-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-06-28 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 (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-20080312206-A1 Chemical Compounds-149 CSF3R, CSF1R, FLT3 NOTUM 2251/4885TSHR 2649/4885ALDH1A1 1081/4885

“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.