SCHEMBL12794297

SCHEMBL12794297

C=C1CCC2C3CCC4=CC(=O)C(C)C[C@@H]4C3CC[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.52
▸ SERPINA6 P08185 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SHBG P04278 2/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL12794303 1.00 CYP19A1 (0.52) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL7702311 0.89 CYP19A1 (0.67) CYP19A1SERPINA6ALDH1A1SHBGLMNA
SCHEMBL12794294 0.83 CYP19A1 (0.48) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL2830563 0.81 CYP19A1 (0.78) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL9948623 0.80 CYP19A1 (0.44) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL16188590 0.78 SHBG (0.69) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL16188696 0.78 SHBG (0.69) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL517355 0.78 SHBG (0.69) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL7615553 0.78 SHBG (0.69) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1
SCHEMBL16741266 0.78 SHBG (0.69) CYP19A1SERPINA6ALDH1A1SHBGSLC22A1

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-7901904-B2 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds NAXOSPHARMA S.R.L. (IT) 2011-03-08 — — US disclosed
US-20100099141-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds NAXOSPHARMA S.R.L. 2010-04-22 — — 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-20100099141-A1 Method and intermediates for preparing 2-alkoxy and 2-aryloxy estrogen compounds CYP19A1, HSD17B11, ESR1 CYP19A1 1/4885SERPINA6 1403/4885ALDH1A1 267/4885

“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.

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