SCHEMBL2808779

SCHEMBL2808779

COCCCOc1cc(C=O)cc(Br)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.48
FDPS P14324 1/20 0.45
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
LMNA P02545 5/20 0.41

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
SCHEMBL2809278 0.84 FDPS (0.46) ALDH1A1MAPK1FDPSTUBB1LMNA
SCHEMBL2806937 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1FDPSLMNAHTT
SCHEMBL2810172 0.82 FDPS (0.45) ALDH1A1MAPK1FDPSTUBB1LMNA
SCHEMBL524712 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1HSD17B10TUBB4ATUBB
SCHEMBL30122857 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1HSD17B10TUBB4ATUBB
SCHEMBL6943688 0.81 ALDH1A1 (0.64) ALDH1A1MAPK1FDPSTUBB4ATUBB
SCHEMBL14958356 0.79 ALDH1A1 (0.61) ALDH1A1MAPK1HSD17B10TUBB4ATUBB
SCHEMBL7960002 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10FDPSLMNA
SCHEMBL23202773 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1HSD17B10FDPSLMNA
SCHEMBL2588646 0.77 MAPT (0.55) ALDH1A1MAPK1HSD17B10TUBB4ATUBB

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
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885MAPK1 785/4885HSD17B10 1119/4885

“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.