SCHEMBL18009402

SCHEMBL18009402

COc1cc(C(=O)C(O)c2ccccc2)ccc1OCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 3/20 0.43
HTR2C P28335 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 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
SCHEMBL18009401 0.88 FDPS (0.48) TSHRMEN1KMT2ALMNACES2
SCHEMBL28250188 0.87 CA12 (0.57) TSHRMEN1KMT2ANPC1HPGD
SCHEMBL17835780 0.82 NPC1 (0.49) TSHRMEN1KMT2ATAAR1NPC1
SCHEMBL30622549 0.80 TSHR (0.71) TSHRRAB9ALMNAPOLBCA12
SCHEMBL617974 0.80 TSHR (0.71) TSHRRAB9ALMNAPOLBCA12
SCHEMBL18813637 0.79 TAS1R3 (0.56) HPGDLMNACES2CES1KDM4E
SCHEMBL25616731 0.78 FDPS (0.47) TSHRPOLBMCHR1PRSS1MAPK1
SCHEMBL25616724 0.78 FDPS (0.47) TSHRPOLBMCHR1PRSS1MAPK1
SCHEMBL8148527 0.78 LMNA (0.60) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL17835817 0.77 SLC6A9 (0.52) KDM4EALDH1A1

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 4 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
EP-3262048-A1 ANTIVIRAL COMPOUNDS Alios Biopharma, Inc. (US) 2018-01-03 EP 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 TSHR 4469/4885MEN1 4812/4885KMT2A 4241/4885
US-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 TSHR 4469/4885MEN1 4812/4885KMT2A 4241/4885

“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.