SCHEMBL7952196

SCHEMBL7952196

COCCCOc1cc(C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 10/20 0.45
MAPT P10636 8/20 0.45
HPGD P15428 6/20 0.45
RAB9A P51151 4/20 0.45
CYP2C9 P11712 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 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
SCHEMBL7773706 0.84 ESR1 (0.51) TSHRKDM4EL3MBTL1MAPTRAB9A
SCHEMBL8765726 0.82 TSHR (0.46) TSHRUSP2KDM4EL3MBTL1MAPT
SCHEMBL10151472 0.81 ALDH1A1 (0.46) TSHRUSP2KDM4EL3MBTL1MAPT
SCHEMBL89387 0.81 TSHR (0.62) TSHRKDM4EL3MBTL1MAPTHPGD
SCHEMBL6044572 0.81 KDM4E (0.46) USP2KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL9697453 0.81 SMPD1 (0.58) TSHRMAPTALDH1A1L3MBTL4L3MBTL3
SCHEMBL9697391 0.81 SMPD1 (0.58) TSHRMAPTALDH1A1L3MBTL4L3MBTL3
SCHEMBL3373256 0.80 L3MBTL1 (0.67) USP2KDM4EL3MBTL1MAPTHPGD
SCHEMBL13068898 0.80 ACHE (0.61) USP2KDM4EL3MBTL1MAPTHPGD
SCHEMBL7952850 0.79 CYP3A4 (0.44) TSHRCYP3A4ALDH1A1TDP1MAPK1

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
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885USP2 4416/4885KDM4E 1427/4885

“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.