SCHEMBL23510451

SCHEMBL23510451

COC(=O)c1cccc(-c2nc3cc(OC4CC4)ccc3o2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.64
MAPT P10636 10/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN5 P54829 1/20 0.51
HSPE1 P61604 1/20 0.51
GPR119 Q8TDV5 1/20 0.49
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HDAC6 Q9UBN7 3/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL16399885 0.80 HSPD1 (0.56) MAPTRAB9ASMN1; SMN2TP53HSPD1
SCHEMBL4885296 0.80 HDAC6 (0.61) MAPTRAB9ASMN1; SMN2TP53HSPD1
SCHEMBL28605620 0.80 KDM4E (0.74) MAPTRAB9ASMN1; SMN2TP53HSPD1
SCHEMBL31247990 0.80 KDM4E (0.74) MAPTRAB9ASMN1; SMN2TP53HSPD1
SCHEMBL27256179 0.79 ACSL1 (0.84) ACSL1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL24634557 0.78 ACSL1 (1.00) ACSL1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL23542082 0.78 ACSL1 (0.53) ACSL1MAPTRAB9ATP53ALDH1A1
SCHEMBL20469750 0.78 ACSL1 (0.53) ACSL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6821226 0.78 MAPT (0.72) MAPTRAB9ASMN1; SMN2TP53HSPD1
SCHEMBL23542084 0.78 MAPT (0.78) MAPTRAB9ASMN1; SMN2TP53HSPD1

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-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 US disclosed
US-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 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-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS ACSL1 4297/4885MAPT 4595/4885RAB9A 1371/4885

“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.