SCHEMBL19628679

SCHEMBL19628679

C=Cc1cc(C(F)(F)F)c(C)c(C(=O)Oc2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
NSD2 O96028 1/20 0.39
MAPT P10636 7/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 4/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL19634971 0.80 MAOB (0.36) MAOBNSD2MAPTRAB9AHPGD
SCHEMBL1534079 0.76 HSD17B10 (0.44) MAOBNSD2MAPTRAB9ANPSR1
SCHEMBL19634982 0.74 MAOB (0.43) MAOBNSD2MAPTRAB9ANPSR1
SCHEMBL1534095 0.71 MAOB (0.41) MAOBMAPTRAB9ANPSR1HPGD
SCHEMBL20860439 0.70 PSEN1 (0.38) MAPTMAPK1SMN1; SMN2CYP2C19CYP2C9
SCHEMBL18602956 0.70 NSD2 (0.51) NSD2MAPTRAB9ANPSR1HPGD
SCHEMBL15086697 0.69 NSD2 (0.50) NSD2MAPTRAB9ANPSR1HPGD
SCHEMBL24926544 0.68 NSD2 (0.38) MAOBNSD2MAPTRAB9ANPSR1
SCHEMBL10903986 0.68 NSD2 (0.51) NSD2MAPTRAB9ANPSR1HPGD
SCHEMBL12023090 0.68 GLRA3 (0.43) NSD2MAPTRAB9ANPSR1HPGD

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-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C MAOB 1699/4885NSD2 3794/4885MAPT 93/4885

“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.