SCHEMBL9966599

SCHEMBL9966599

O=C1c2ccccc2C(=O)N1CCCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
ELANE P08246 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACHE P22303 4/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11872189 0.84 ELANE (0.45) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9966585 0.82 ELANE (0.49) MAPTTDP1TSHRELANECYP1A2
SCHEMBL6043712 0.81 MAPT (0.64) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL2365443 0.80 TSHR (0.57) TSHRELANE
SCHEMBL6274253 0.78 SMN1; SMN2 (0.59) MAPTRAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL11872179 0.78 SMN1; SMN2 (0.46) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL15923823 0.77 RAB9A (0.63) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL5632907 0.77 RAB9A (0.77) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL16394878 0.76 TSHR (0.52) L3MBTL1TSHRELANE
SCHEMBL20492122 0.75 TDP1 (0.65) MAPTRAB9ASMN1; SMN2TDP1L3MBTL1

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
US-20140017797-A1 PROTEIN AFFINITY TAG AND USES THEREOF De Staadt der Nederlanden, vert doorde minister van VWS (NL) 2014-01-16 US disclosed
US-20140017797-A1 PROTEIN AFFINITY TAG AND USES THEREOF De Staadt der Nederlanden, vert doorde minister van VWS (NL) 2014-01-16 US disclosed
WO-2012081978-A1 PROTEIN AFFINITY TAG AND USES THEREOF DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2012-06-21 WO 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-20140017797-A1 PROTEIN AFFINITY TAG AND USES THEREOF PTMS, ALPG, TPX2 MAPT 2203/4885RAB9A 4537/4885SMN1; SMN2 4831/4885

“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.