SCHEMBL18033365

SCHEMBL18033365

COC(=O)c1ccc(OCc2ccccc2)c(OCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 3/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PPIA P62937 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL17835716 0.84 SMPD1 (0.62) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL3245222 0.84 SMPD1 (0.67) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL18031233 0.82 SMN1; SMN2 (0.60) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL18054821 0.81 CA12 (0.47) SMPD1HDAC6SMN1; SMN2HPGDRAB9A
SCHEMBL18033077 0.81 MAPT (0.38) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
Bicarbonate SCHEMBL5504807 0.80 SMPD1 (0.62) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
Bicarbonate SCHEMBL5504809 0.80 SMPD1 (0.62) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL2803357 0.80 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL1665370 0.80 S1PR4 (0.47) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL26814603 0.80 CYP1A2 (0.44) HDAC1SMN1; SMN2HPGDNPC1RAB9A

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-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 — — US disclosed
WO-2016138158-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2016-09-01 — — WO disclosed
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 — — 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 (2 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-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 SMPD1 69/4885HDAC1 684/4885HDAC8 629/4885
US-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 SMPD1 69/4885HDAC1 684/4885HDAC8 629/4885

“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.

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