SCHEMBL4420638

SCHEMBL4420638

COc1ccc(-c2ccc3c(c2)C(C)(C)CC3=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.64
PDK2 Q15119 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
TDP2 O95551 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALKBH3 Q96Q83 1/20 0.42
TP53 P04637 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL388758 0.89 PGR (0.53) PGRSMN1; SMN2TDP2KDM4EALDH1A1
SCHEMBL4420977 0.88 PGR (0.68) PGRCTSDBACE1HDAC4HDAC8
SCHEMBL4420953 0.82 PGR (0.77) PGRPDK2SMN1; SMN2CTSDBACE1
SCHEMBL4417754 0.82 PGR (0.77) PGRPDK2TDP2KDM4ECYP2C19
SCHEMBL4426105 0.81 PGR (0.78) PGRPDK2TDP2TP53ALPL
SCHEMBL8597253 0.79 PDE3B (0.47) PGRSMN1; SMN2TDP2KDM4EALDH1A1
SCHEMBL4420948 0.78 PGR (1.00) PGRTDP2ALKBH3
SCHEMBL4429216 0.78 PGR (0.65) PGRTDP2
SCHEMBL4419848 0.78 PGR (0.64) PGRSMN1; SMN2ALDH1A1
SCHEMBL4419225 0.78 PGR (0.78) PGRPDK2CTSDBACE1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-12-31 US disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 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 (3 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-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR PGR 1/4885PDK2 2229/4885SMN1; SMN2 4767/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1470/4885SMN1; SMN2 4811/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PGR 2/4885PDK2 1492/4885SMN1; SMN2 4827/4885

“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.