SCHEMBL18889702

SCHEMBL18889702

COc1ccc(C=C(C=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
PAX8 Q06710 1/20 0.54
KLF5 Q13887 1/20 0.54
HIF1A Q16665 1/20 0.54
APP P05067 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51

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
SCHEMBL18889699 1.00 SMPD1 (0.58) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL18149078 0.93 SMPD1 (0.60) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL18906412 0.86 HPGD (0.46) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL19112247 0.84 TUBB4A (0.60) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4960972 0.84 APP (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL4960977 0.84 APP (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL18912843 0.81 ALDH1A1 (0.69) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL14198059 0.81 AMY1A (0.57) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL752160 0.81 ALDH1A1 (0.65) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL29377794 0.81 ALDH1A1 (0.65) SMPD1HDAC1HDAC8HDAC6NPC1

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-9708310-B2 Phenanthroindolizidine and phenanthroquinolizidine alkaloid having a hydroxyl group on the phenanthrene ring thereof, preparation method and use thereof CHINA MEDICAL UNIVERSITY (TW) 2017-07-18 US disclosed
US-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF CHINA MEDICAL UNIVERSITY (TW) 2017-06-01 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-20170152257-A1 PHENANTHROINDOLIZIDINE AND PHENANTHROQUINOLIZIDINE ALKALOID HAVING A HYDROXYL GROUP ON THE PHENANTHRENE RING THEREOF, PREPARATION METHOD AND USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAH, HIPK4 SMPD1 4749/4885HDAC1 212/4885HDAC8 302/4885

“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.