SCHEMBL12085097

SCHEMBL12085097

CC12CCC(=O)C=C1CCC1[C@@H]2CCC2(C)[C@H]1CCC21OCCO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 7/20 0.68
▸ NR3C1 P04150 4/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ PGR P06401 3/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ HTR2B P41595 1/20 0.68
▸ LMNA P02545 7/20 0.66
▸ SERPINA6 P08185 6/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ BLM P54132 4/20 0.66
▸ CYP2C19 P33261 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ MAPK3 P27361 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ HSD17B10 Q99714 6/20 0.63
▸ TSHR P16473 4/20 0.63
▸ CYP19A1 P11511 4/20 0.63

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
SCHEMBL13573314 1.00 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL17424597 1.00 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10273673 1.00 SHBG (0.68) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL30171328 0.85 SHBG (0.71) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL13146616 0.85 SHBG (0.71) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL31095091 0.84 HSD17B10 (0.62) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL11244016 0.83 SHBG (0.65) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL17775781 0.83 SHBG (0.76) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL8423521 0.82 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10273321 0.82 SHBG (0.49) SHBGNR3C1ALDH1A1PGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279196-B1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS INC (US) 2015-01-21 — — EP disclosed
US-8258329-B2 Dehydroandrosterone analogs including an anti-inflammatory pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
US-20100048887-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. 2010-02-25 — — 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-20100048887-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE PTGES, PTGS1, PTGES2 SHBG 2465/4885NR3C1 266/4885ALDH1A1 609/4885

“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.

Send feedback