SCHEMBL2807084

SCHEMBL2807084

COCCCc1cc(CBr)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.35
KCNH2 Q12809 2/20 0.35
SMPD1 P17405 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1B1 P15121 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP3A4 P08684 1/20 0.34
F2 P00734 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
NQO1 P15559 1/20 0.32

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
SCHEMBL28284592 0.80 AKR1B1 (0.41) RENKCNH2SMPD1ALDH1A1AKR1B1
SCHEMBL2808494 0.79 REN (0.45) RENL3MBTL1
SCHEMBL17986704 0.77 ALDH1A1 (0.41) ALDH1A1AKR1B1F2L3MBTL1
SCHEMBL31621523 0.77 ALDH1A1 (0.41) ALDH1A1AKR1B1F2L3MBTL1
SCHEMBL2094194 0.76 CYP1A2 (0.47) ALDH1A1AKR1B1SIGMAR1
SCHEMBL27774924 0.74 NPC1 (0.39) ALDH1A1AKR1B1
SCHEMBL2805685 0.74 AMPD3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL1068764 0.74 AKR1B1 (0.43) RENKCNH2SMPD1ALDH1A1AKR1B1
SCHEMBL6045402 0.73 F2 (0.39) ALDH1A1AKR1B1F2L3MBTL1
SCHEMBL2805447 0.73 NPC1 (0.38) RENALDH1A1CYP3A4MEN1KMT2A

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 REN 1/4885KCNH2 39/4885SMPD1 3108/4885

“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.