SCHEMBL10108941

SCHEMBL10108941

COc1ccc2c(c1)[C@@H]1CCCC[C@@H]1[C@H](c1ccc(OC)c(F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
RIPK1 Q13546 1/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36

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
SCHEMBL10108827 0.85 OPRM1 (0.41) KDM1AOPRM1OPRD1CYP19A1CYP11B1
SCHEMBL318327 0.85 OPRM1 (0.41) KDM1AOPRM1OPRD1CYP19A1CYP11B1
SCHEMBL10108857 0.83 NOS3 (0.43) KDM1AOPRM1OPRD1CYP19A1CYP11B1
SCHEMBL318577 0.83 NOS3 (0.43) KDM1AOPRM1OPRD1CYP19A1CYP11B1
SCHEMBL10109277 0.78 LMNA (0.44) KDM1AKMT2AMEN1TUBB4ATUBB
SCHEMBL317854 0.78 KDM1A (0.41) KDM1ARIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL10108932 0.78 KDM1A (0.41) KDM1ARIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL318188 0.77 KDM1A (0.41) KDM1ARIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL10108927 0.77 KDM1A (0.41) KDM1ARIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL318184 0.75 LMNA (0.42) KDM1ATUBB4ATUBBTUBA3CTUBA1B

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 KDM1A 2085/4885RIPK1 3725/4885SLC6A2 2669/4885

“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.