SCHEMBL2811635

SCHEMBL2811635

COCCCn1cc(C)c2ccc(C=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.45
REN P00797 5/20 0.42
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TRPM5 Q9NZQ8 3/20 0.36
CYP2A6 P11509 1/20 0.36
FDPS P14324 1/20 0.35
MCL1 Q07820 1/20 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
SCHEMBL13132252 0.87 PTGER4 (0.45) PTGER4RENALDH1A1NPC1MAPT
SCHEMBL2807073 0.83 SMN1; SMN2 (0.51) PTGER4ALDH1A1NPC1MAPTRAB9A
SCHEMBL91360 0.82 REN (0.44) RENALDH1A1NPC1MAPTRAB9A
SCHEMBL4592671 0.80 REN (0.42) RENCNR1CNR2PDE4APDE4B
SCHEMBL14144412 0.80 REN (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL4602445 0.80 ICMT (0.44) PTGER4RENCNR1CNR2PDE4A
SCHEMBL1050732 0.80 REN (0.42) RENALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL13962829 0.80 REN (0.42) RENALDH1A1CNR1CNR2PDE4A
SCHEMBL13962817 0.80 REN (0.42) RENALDH1A1CNR1CNR2PDE4A
SCHEMBL1555255 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D

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-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 PTGER4 873/4885REN 1/4885ALDH1A1 2202/4885

“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.