SCHEMBL4133080

SCHEMBL4133080

CC(C)(C)c1ccc(CC(O)(CC(C)(C)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.53
NR3C1 P04150 5/20 0.53
NR3C2 P08235 2/20 0.53
SLC13A5 Q86YT5 2/20 0.50
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ESRRG P62508 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.40
EPHX1 P07099 5/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL3657467 0.91 PGR (0.50) PGRNR3C1NR3C2ESR1ESR2
SCHEMBL3655517 0.88 PGR (0.53) PGRNR3C1NR3C2SLC13A5ESR1
SCHEMBL3657144 0.85 KMT2A (0.49) PGRNR3C1NR3C2RAB9ALMNA
SCHEMBL4133085 0.82 CYP2C19 (0.47) PGRNR3C1NR3C2SLC13A5ALDH1A1
SCHEMBL3687265 0.82 NR3C1 (0.57) PGRNR3C1NR3C2SLC13A5
SCHEMBL3681100 0.81 PGR (0.55) PGRNR3C1NR3C2ESR1ESR2
SCHEMBL3655713 0.79 PGR (0.57) PGRNR3C1NR3C2
SCHEMBL3656436 0.78 PGR (0.41) PGRNR3C1NR3C2SLC13A5RAB9A
SCHEMBL5518377 0.77 NR3C1 (0.50) PGRNR3C1NR3C2ESR1ESR2
SCHEMBL4618221 0.77 PGR (0.54) PGRNR3C1NR3C2ALDH1A1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1895999-A1 USE OF NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Schering Aktiengesellschaft (DE) 2008-03-12 EP claimed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US claimed
WO-2007022824-A1 USE OF NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-01 WO claimed
US-20060293317-A1 Use of non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 US claimed
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP claimed
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 US claimed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US claimed
EP-2056799-B1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB (US) 2013-07-31 EP disclosed
EP-2203160-B1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB (US) 2013-07-17 EP disclosed
EP-2190431-B1 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB (US) 2013-07-03 EP disclosed
EP-2364707-B1 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB (US) 2013-04-03 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
EP-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed
US-20060293317-A1 Use of non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 US disclosed
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP disclosed
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1467982-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 WO 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 (4 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-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R PGR 227/4885NR3C1 1/4885NR3C2 2/4885
US-20060293317-A1 Use of non-steroidal progesterone receptor modulators SHBG, PGR, NR5A1 PGR 2/4885NR3C1 32/4885NR3C2 17/4885
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, MC2R, NR3C2 PGR 80/4885NR3C1 1/4885NR3C2 3/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 PGR 220/4885NR3C1 3/4885NR3C2 18/4885

“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.