SCHEMBL2272259

SCHEMBL2272259

COC(=O)c1cccc(Cc2ccc3[nH]ccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
CDK8 P49336 1/20 0.48
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
MPO P05164 1/20 0.47
SLC7A5 Q01650 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
MAPT P10636 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NFATC1 O95644 1/20 0.43

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
SCHEMBL2278323 0.90 LOXL2 (0.52) LOXL2CYP4F2CYP4A11CDK8ABL1
SCHEMBL18941059 0.88 ABL1 (0.49) LOXL2CYP4A11ABL1SRCCTNNB1
SCHEMBL2275779 0.84 CTNNB1 (0.52) NPC1RAB9ACTNNB1WNT3AMAPT
SCHEMBL18941074 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTNFATC1
SCHEMBL103794 0.80 TUBB4A (0.58) CDK8ABL1NPC1RAB9ACTNNB1
SCHEMBL29377304 0.80 TUBB4A (0.58) CDK8ABL1NPC1RAB9ACTNNB1
SCHEMBL18941275 0.80 RXFP1 (0.58) NPC1RAB9ASMN1; SMN2MAPTNFATC1
SCHEMBL18941260 0.79 NPC1 (0.63) NPC1RAB9ACTNNB1WNT3AMAPT
Ammonia Solution, Strong SCHEMBL28339305 0.79 TUBB4A (0.57) CDK8ABL1NPC1RAB9ACTNNB1
Hydrochloric Acid SCHEMBL28263909 0.79 TUBB4A (0.57) CDK8ABL1NPC1RAB9ACTNNB1

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-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS LOXL2 4691/4885CYP4F2 1877/4885CYP4A11 4534/4885

“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.