SCHEMBL2232043

SCHEMBL2232043

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 1.00
MAPT P10636 8/20 0.85
CYP3A4 P08684 5/20 0.85
SMN1; SMN2 Q16637 5/20 0.85
TP53 P04637 4/20 0.85
LMNA P02545 7/20 0.79
KMT2A Q03164 6/20 0.79
MEN1 O00255 5/20 0.79
ALOX15 P16050 3/20 0.79
MAPK1 P28482 3/20 0.79
RECQL P46063 2/20 0.79
BRCA1 P38398 1/20 0.79
HSD17B10 Q99714 1/20 0.70
THRB P10828 1/20 0.68
STS P08842 3/20 0.67
PGR P06401 3/20 0.66
ADORA3 P0DMS8 3/20 0.66
AR P10275 3/20 0.66
CHRM1 P11229 2/20 0.66
TBXA2R P21731 2/20 0.66

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
SCHEMBL12449418 1.00 ESR1 (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL17302844 0.92 MAPT (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL14094308 0.92 MAPT (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL29616163 0.92 MAPT (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL29351015 0.92 MAPT (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL147461 0.92 MAPT (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL147037 0.89 LMNA (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL13177178 0.89 LMNA (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL8991456 0.89 LMNA (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL8643294 0.89 LMNA (1.00) ESR1MAPTCYP3A4SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831144-B1 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS RICHTER GEDEON NYRT (HU) 2011-08-17 EP claimed
US-7973185-B2 Process for the preparation of phenolic hydroxy-substituted compounds RICHTER GEDEON NYRT. (HU) 2011-07-05 US claimed
US-20080039643-A1 Process for the Preparation of Phenolic Hydroxy-Substituted Compounds RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-02-14 US claimed
EP-1831144-A2 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-09-12 EP claimed
WO-2006061666-A2 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-06-15 WO claimed
EP-1831144-B1 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS RICHTER GEDEON NYRT (HU) 2011-08-17 EP disclosed
US-7973185-B2 Process for the preparation of phenolic hydroxy-substituted compounds RICHTER GEDEON NYRT. (HU) 2011-07-05 US disclosed
US-20080039643-A1 Process for the Preparation of Phenolic Hydroxy-Substituted Compounds RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-02-14 US disclosed
EP-1831144-A2 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-09-12 EP disclosed
WO-2006061666-A2 A NEW PROCESS FOR THE PREPARATION OF PHENOLIC HYDROXY-SUBSTITUTED COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-06-15 WO disclosed
US-4029648-A Process of making gona-1,3,5(10),9(11)-tetraenes VEB JENAPHARM (DL) 1977-06-14 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 (1 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-20080039643-A1 Process for the Preparation of Phenolic Hydroxy-Substituted Compounds NR3C2, CYP21A2, NR5A1 ESR1 8/4885MAPT 4563/4885CYP3A4 260/4885

“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.