SCHEMBL2502157

SCHEMBL2502157

CCC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
CYP3A4 P08684 4/20 0.78
PGR P06401 3/20 0.78
CYP2C19 P33261 1/20 0.78
AR P10275 1/20 0.78
CHRM1 P11229 1/20 0.78
TBXA2R P21731 1/20 0.78
ADRA1A P35348 1/20 0.78
CYP19A1 P11511 6/20 0.60
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
NR3C1 P04150 2/20 0.54
PDE4D Q08499 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CHRM2 P08172 1/20 0.53
OPRK1 P41145 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10381553 0.92 CYP3A4 (0.78) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL606816 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL20281282 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL37703 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL23383832 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL23360787 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL606817 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL11512798 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL18814051 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR
Dydrogesterone SCHEMBL13907084 0.88 CYP3A4 (1.00) ALDH1A1CYP3A4PGRCYP2C19AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 US disclosed
US-9192656-B2 Methods and compositions for the treatment of cancer QUINTESSENCE BIOSCIENCES, INC. (US) 2015-11-24 US disclosed
US-9006407-B2 Therapeutic ribonucleases QUINTESSENCE BIOSCIENCES, INC. (US) 2015-04-14 US disclosed
US-20140128457-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2014-05-08 US disclosed
US-20130078229-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER QUINTESSENCE BIOSCIENCES, INC. 2013-03-28 US disclosed
US-20120276077-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2012-11-01 US disclosed
US-8298801-B2 Human ribonuclease for use in prevention and treatment of cancer; antitumor agents QUINTESSENCE BIOSCIENCES, INC. (US) 2012-10-30 US disclosed
US-8029782-B2 Therapeutic ribonucleases QUINTESSENCE BIOSCIENCES, INC. (US) 2011-10-04 US disclosed
US-20100080789-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
US-20080095755-A1 Methods and compositions for the treatment of cancer QUINTESSENCE BIOSCIENCES, INC. (US) 2008-04-24 US disclosed
US-5861387-A TREATMENT AND PREVENTION OF BREAST AND ENDOMETRIAL CANCER, BONE LOSS, AND FOR TREATING ENDOMETRIOSIS ENDORECHERCHE INC. (CA) 1999-01-19 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-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY SQOR, MAVS, TFAM ALDH1A1 1628/4885CYP3A4 840/4885PGR 4307/4885
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity SQOR, MAVS, TFAM ALDH1A1 1628/4885CYP3A4 840/4885PGR 4307/4885

“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.