SCHEMBL6249142

SCHEMBL6249142

COc1ccc2c(c1)CCC(=O)C2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
SRD5A1 P18405 2/20 0.48
DRD1 P21728 2/20 0.46
BCL2 P10415 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B1 P14061 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44
CHRNA7 P36544 1/20 0.43
CYP19A1 P11511 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA7 P43166 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL5512979 0.87 HTR2C (0.53) HTR2CACHECHRNA7CYP19A1HTR2A
SCHEMBL3897835 0.81 HTR2A (0.47) HTR2CSRD5A1DRD1BCL2LMNA
SCHEMBL16385863 0.80 DRD1 (0.64) HTR2CDRD1BCL2CA1CA2
SCHEMBL14293862 0.80 CA1 (0.49) HTR2CSRD5A1MAPTSMN1; SMN2CYP19A1
SCHEMBL8116003 0.78 SRD5A1 (0.47) HTR2CSRD5A1DRD1BCL2LMNA
SCHEMBL809758 0.77 CA1 (0.55) SRD5A1DRD1CA1CA2CA9
SCHEMBL7136674 0.76 MAPK1 (0.51) HTR2CSRD5A1LMNAKDM4ESMN1; SMN2
SCHEMBL14267920 0.76 CA1 (0.56) HTR2CSRD5A1KDM4EKMT2ACYP19A1
SCHEMBL7796246 0.76 HTR2A (0.49) HTR2CSRD5A1HTR2AHTR2B
SCHEMBL8128100 0.76 SRD5A1 (0.46) HTR2CSRD5A1BRD4HTR2AHTR2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399406-B1 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KAROBIO AB (SE) 2005-08-10 EP disclosed
US-20040127576-A1 Estrogen receptor modulators KARO BIO AB (SE) 2004-07-01 US disclosed
US-4540705-A Antidepressant imidazolines and related compounds STERLING DRUG INC. (US) 1985-09-10 US disclosed
EP-0125410-A2 Imidazolines and related compounds and preparation thereof STERLING DRUG INC. (US) 1984-11-21 EP disclosed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 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-20040127576-A1 Estrogen receptor modulators GPER1, ESRRA, ESRRB HTR2C 818/4885SRD5A1 192/4885DRD1 1906/4885

“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.