SCHEMBL762838

SCHEMBL762838

CCCCOc1cc(C(=O)OC)cc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
PLA2G2A P14555 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
RARB P10826 3/20 0.48
DHODH Q02127 1/20 0.47
PTPN11 Q06124 1/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
ALPL P05186 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL7826725 0.89 MAPT (0.54) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL12389218 0.87 NR1H4 (0.49) MAPTRAB9ANR1H4DHODHPTPN11
SCHEMBL9324868 0.86 MAPT (0.61) MAPTRAB9APLA2G2AHDAC3HDAC4
SCHEMBL2771698 0.84 MAPT (0.58) MAPTRAB9APLA2G2AALPL
SCHEMBL9325774 0.84 MAPT (0.55) MAPTRAB9ANR1H4HDAC1HDAC2
SCHEMBL731203 0.82 LMNA (0.62) MAPTRAB9ANR1H4
SCHEMBL12826914 0.82 NR1H4 (0.63) MAPTRAB9ANR1H4PTPN11
SCHEMBL2772131 0.81 PLA2G2A (0.67) MAPTRAB9APLA2G2ANR1H4RARB
SCHEMBL14150405 0.81 RXRA (0.56)
SCHEMBL10268140 0.80 PLA2G2A (0.55) MAPTRAB9APLA2G2AALPLCNR2

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 MAPT 4484/4885RAB9A 2465/4885PLA2G2A 4546/4885

“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.