SCHEMBL2805685

SCHEMBL2805685

COCCCc1cc(C(=O)O)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMPD3 Q01432 2/20 0.43
MTNR1A P48039 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
GAA P10253 1/20 0.39
PTGER4 P35408 2/20 0.38
CDC25B P30305 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2810326 0.84 CDC25B (0.44) AMPD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL27782246 0.84 DHODH (0.43) AMPD3TDP1KDM4EALDH1A1MEN1
SCHEMBL27760654 0.82 MAPT (0.48) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7840002 0.81 GPR84 (0.47) AMPD3TDP1KDM4EALDH1A1MEN1
SCHEMBL13132193 0.81 MRGPRX4 (0.45) KDM4EALDH1A1KMT2AHPGDPOLB
SCHEMBL27782213 0.79 ALDH1A1 (0.48) AMPD3TDP1KDM4EALDH1A1MEN1
SCHEMBL28783987 0.77 GRIN2D (0.46) AMPD3TDP1KDM4EALDH1A1MEN1
SCHEMBL1290134 0.77 MEN1 (0.50) AMPD3TDP1KDM4EALDH1A1MEN1
SCHEMBL20515855 0.76 MRGPRX4 (0.46) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1072386 0.75 CDC25B (0.46) KDM4EALDH1A1MEN1KMT2ACYP1A2

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 4 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
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 AMPD3 2264/4885MTNR1A 515/4885TDP1 4607/4885

“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.