SCHEMBL6587565

SCHEMBL6587565

CC(C)(CC(O)(C(=O)O)C(F)(F)F)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
PDK2 Q15119 4/20 0.40
PDK1 Q15118 3/20 0.40
PDK3 Q15120 3/20 0.40
PDK4 Q16654 3/20 0.40
EPHX2 P34913 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
NR1H3 Q13133 1/20 0.40
PTPN5 P54829 1/20 0.39
HSD11B1 P28845 7/20 0.39
KIF11 P52732 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NR1I2 O75469 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
NR1H2 P55055 1/20 0.38
RORB Q92753 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL6582083 0.82 NR3C2 (0.49) PDK2PDK1PDK3PDK4NR3C1
SCHEMBL6583330 0.79 MAOB (0.40) MLYCDEPHX2NR3C1PGRNR3C2
SCHEMBL6585240 0.78 EPHX2 (0.40) MLYCDEPHX2NR3C1PGRNR3C2
SCHEMBL6554688 0.77 NR3C1 (0.51) PDK2PDK1PDK3PDK4NR3C1
SCHEMBL6583893 0.77 TET2 (0.38) NR3C1PGRNR3C2NR1H3NR1H2
SCHEMBL28846139 0.75 KIF11 (0.48) MLYCDPDK2PDK1PDK3PDK4
SCHEMBL6583154 0.74 NR3C1 (0.36) PDK2PDK1PDK3PDK4NR3C1
SCHEMBL6245761 0.73 KIF11 (0.50) MLYCDPDK2PDK1PDK3PDK4
SCHEMBL22939513 0.72 SHBG (0.55) EPHX2KIF11
SCHEMBL8224210 0.71 KIF11 (0.52) EPHX2PTPN5KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US claimed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
CN-100445272-C Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2008-12-24 CN disclosed
EP-0986545-B1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AG (DE) 2004-12-29 EP disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
CN-1258286-A Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2000-06-28 CN 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 (2 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 MLYCD 4266/4885PDK2 1868/4885PDK1 2157/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 MLYCD 4231/4885PDK2 1961/4885PDK1 2247/4885

“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.