SCHEMBL4125342

SCHEMBL4125342

CCOC(=O)c1c(C)ncn1CCCBr

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK1 P28482 2/20 0.39
TBXAS1 P24557 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
AMPD2 Q01433 2/20 0.35

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
SCHEMBL28765941 0.82 PKM (0.39) TNFALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL24376040 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL19798047 0.81 KMT2A (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31332883 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL5937208 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL19797891 0.75 TGFBR1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9039385 0.74 SMN1; SMN2 (0.42) TNFALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4118014 0.74 ALDH1A1 (0.41) TNFALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20360622 0.74 LMNA (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL27094264 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TNF 347/4885ALDH1A1 1599/4885KDM4E 4797/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TNF 347/4885ALDH1A1 1599/4885KDM4E 4797/4885

“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.