SCHEMBL1757508

SCHEMBL1757508

COC(=O)Cn1c(C)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 3/20 0.57
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53

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
SCHEMBL1779695 0.86 RAB9A (0.68) KDM4ETP53TSHRALDH1A1KMT2A
SCHEMBL11681610 0.85 KDM4E (0.62) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL4706867 0.84 KDM4E (0.53) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL3067363 0.82 L3MBTL1 (0.64) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL6720410 0.82 ALDH1A1 (0.55) KDM4ESMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL2476665 0.82 CCR2 (0.60) KDM4ESMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL20037017 0.81 RAB9A (0.52) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL8568247 0.81 TP53 (0.58) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL8568160 0.81 TP53 (0.56) KDM4ESMN1; SMN2TP53TSHRALDH1A1
SCHEMBL25143868 0.81 L3MBTL1 (0.71) KDM4ESMN1; SMN2TSHRALDH1A1KMT2A

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
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 KDM4E 4693/4885SMN1; SMN2 4493/4885TP53 4484/4885

“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.