SCHEMBL6583697

SCHEMBL6583697

COC(=O)C(=O)CC(C)(C)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40

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
SCHEMBL3532960 0.87 ALDH1A1 (0.43) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL6585390 0.87 LMNA (0.46) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL2501365 0.85 LMNA (0.46) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL2501471 0.83 LMNA (0.53) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL3534906 0.81 KCNN4 (0.47) MAPTHTTCES1
SCHEMBL1635233 0.79 PDK1 (0.44) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL17700331 0.78 ALDH1A1 (0.45) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL8705771 0.77 KIF11 (0.46) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL16518014 0.75 HTT (0.43) LMNANPC1RAB9AMAPTMAPK1
SCHEMBL3435840 0.74 KIF11 (0.46) LMNANPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LMNA 1909/4885NPC1 3852/4885RAB9A 4046/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 LMNA 1792/4885NPC1 4011/4885RAB9A 3957/4885

“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.