SCHEMBL12969465

SCHEMBL12969465

COC(=O)[C@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.76
PGR P06401 5/20 0.76
HIF1A Q16665 4/20 0.76
HSD17B10 Q99714 2/20 0.76
ABCB11 O95342 2/20 0.76
CYP3A4 P08684 1/20 0.76
TNF P01375 1/20 0.76
IL6 P05231 1/20 0.76
SERPINA6 P08185 1/20 0.76
NR3C2 P08235 1/20 0.76
AR P10275 1/20 0.76
GLUL P15104 1/20 0.76
ADAM17 P78536 1/20 0.76
GPBAR1 Q8TDU6 1/20 0.76
CYP2C19 P33261 1/20 0.76
LMNA P02545 2/20 0.65
NR1I2 O75469 2/20 0.59
ABCC3 O15438 1/20 0.59
KMT2A Q03164 1/20 0.56
CNR1 P21554 1/20 0.56

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
SCHEMBL1685803 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL15796471 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL12738238 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL5098329 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL13379819 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10333932 0.90 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10333933 0.90 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL5098424 0.90 PGR (0.77) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL1685716 0.90 PGR (0.77) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL13929909 0.89 NR3C1 (0.66) NR3C1PGRHIF1AHSD17B10ABCB11

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
US-20140171645-A1 ELECTROPHILIC ALKYLATING REAGENTS, THEIR PREPARATION AND USE HOVIONE INTER LTD. (CH) 2014-06-19 US disclosed
US-20140171645-A1 ELECTROPHILIC ALKYLATING REAGENTS, THEIR PREPARATION AND USE HOVIONE INTER LTD. (CH) 2014-06-19 US disclosed
WO-2012131286-A1 ELECTROPHILIC ALKYLATING REAGENTS, THEIR PREPARATION AND USE HOVIONE INTER. LTD (CH) 2012-10-04 WO 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-20140171645-A1 ELECTROPHILIC ALKYLATING REAGENTS, THEIR PREPARATION AND USE MGMT, MCL1, TOP2B NR3C1 1595/4885PGR 3045/4885HIF1A 2680/4885

“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.