SCHEMBL10109134

SCHEMBL10109134

COc1ccc(C2C(=O)c3c(OC)ccc(OC)c3[C@@H]3CCC[C@H]23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAP2K3 P46734 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
MAOA P21397 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL318216 1.00 NPC1 (0.38) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL10108978 0.81 NPC1 (0.43) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL319601 0.81 NPC1 (0.43) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL10108879 0.81 MAP2K3 (0.40) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL318171 0.81 MAP2K3 (0.40) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL10109207 0.78 MAP2K3 (0.40) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL317977 0.78 MAP2K3 (0.40) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL10109428 0.77 MAP2K3 (0.35) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL318212 0.77 MAP2K3 (0.35) NPC1RAB9AMAP2K3TUBB4ATUBB
SCHEMBL10109151 0.75 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KMT2A

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG NPC1 2576/4885RAB9A 4851/4885MAP2K3 3457/4885

“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.