SCHEMBL2806039

SCHEMBL2806039

CCc1cc2cc(C(=O)O)cc(O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.46
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
SELL P14151 1/20 0.41
HPGD P15428 1/20 0.41
SELP P16109 1/20 0.41
FUT4 P22083 1/20 0.41
DPP4 P27487 1/20 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
SCHEMBL9902751 0.78 CA12 (0.45) SLC22A12CA12CA1CA2CA7
SCHEMBL2265834 0.76 SLC22A12 (0.40) SLC22A12MAPTALDH1A1SELLHPGD
SCHEMBL2809670 0.74 SLC22A12 (0.46) SLC22A12CA12CA1CA2CA7
SCHEMBL6298868 0.72 TBXAS1 (0.56) SLC22A12CA12CA1CA2CA7
SCHEMBL21438445 0.71 PTGER1 (0.41) SLC22A12KDM4EDAOTPMT
SCHEMBL16047423 0.71 STING1 (0.47) SLC22A12KDM4EALDH1A1HPGDDPP4
SCHEMBL20078226 0.70 MAOA (0.48) SLC22A12CA12CA1CA2CA9
SCHEMBL1755360 0.69 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL22416115 0.69 STING1 (0.46) SLC22A12CA12CA9KDM4EALDH1A1
SCHEMBL20981819 0.68 DAO (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A12 2804/4885CA12 4571/4885CA1 4330/4885

“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.