SCHEMBL10108978

SCHEMBL10108978

COc1ccc(C2C(=O)c3cccc(OC)c3[C@@H]3CCCC[C@H]23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
BACE1 P56817 1/20 0.38
MAP2K3 P46734 1/20 0.38
ACHE P22303 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL319601 1.00 NPC1 (0.43) NPC1RAB9AMAPTTP53HPGD
SCHEMBL10109134 0.81 NPC1 (0.38) NPC1RAB9AMAPTTP53HPGD
SCHEMBL318216 0.81 NPC1 (0.38) NPC1RAB9AMAPTTP53HPGD
SCHEMBL10109428 0.81 MAP2K3 (0.35) NPC1RAB9AMAPTTP53HPGD
SCHEMBL318212 0.81 MAP2K3 (0.35) NPC1RAB9AMAPTTP53HPGD
SCHEMBL10109009 0.80 ESR2 (0.42) NPC1RAB9AMAPTTP53HPGD
SCHEMBL318386 0.80 ESR2 (0.42) NPC1RAB9AMAPTTP53HPGD
SCHEMBL317798 0.78 ESR2 (0.49) NPC1RAB9AMAPTTP53HPGD
SCHEMBL10108815 0.78 ESR2 (0.49) NPC1RAB9AMAPTTP53HPGD
SCHEMBL10108987 0.75 HCRTR1 (0.42) NPC1RAB9AMAOAHCRTR1HCRTR2

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
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
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 4851/4885MAPT 224/4885

“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.