SCHEMBL2502154

SCHEMBL2502154

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ PGR P06401 3/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ AR P10275 2/20 0.70
▸ CHRM1 P11229 2/20 0.70
▸ ADRA1A P35348 2/20 0.70
▸ TBXA2R P21731 1/20 0.70
▸ SRD5A2 P31213 1/20 0.49
▸ SERPINA6 P08185 3/20 0.47
▸ CYP19A1 P11511 3/20 0.46
▸ LMNA P02545 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NR3C1 P04150 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4747192 0.89 CYP3A4 (0.70) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL4746562 0.89 CYP3A4 (0.70) CYP3A4ALDH1A1PGRCYP2C19AR
SCHEMBL10896735 0.86 CYP3A4 (0.66) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL606817 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL37703 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL23360787 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL18814051 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL606816 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL23383832 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR
Dydrogesterone SCHEMBL13907084 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1PGRCYP2C19AR

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 CYP3A4 840/4885ALDH1A1 1628/4885PGR 4307/4885
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity SQOR, MAVS, TFAM CYP3A4 840/4885ALDH1A1 1628/4885PGR 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.

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