SCHEMBL6223425

SCHEMBL6223425

CC(C)(C)c1cc(O)c(Br)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 9/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ATP2A2 P16615 1/20 0.56
▸ ATP2A3 Q93084 1/20 0.56
▸ CYP3A4 P08684 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ TYR P14679 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ CA2 P00918 4/20 0.41

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
SCHEMBL16736821 0.86 ALOX15 (0.71) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL16736828 0.82 ALDH1A1 (0.52) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL24871322 0.79 ALDH1A1 (0.43) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL18262903 0.77 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL30573016 0.77 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL16736855 0.77 ALOX15 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL16736832 0.77 ALOX15 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL12807736 0.77 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL1549203 0.76 ALOX15 (0.43) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL23421454 0.76 ALDH1A1 (0.44) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use ANDERSON MARK B 2005-11-10 — — US disclosed
EP-1560818-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-10 — — EP disclosed
US-6903132-B2 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-06-07 — — US disclosed
US-20040014787-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
WO-2003106446-A1 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 — — WO disclosed
US-4588835-A Process for preparing alkoxyphenols OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-05-13 — — 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-20050250846-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use GNRHR, LHCGR, FSHR ALOX15 4695/4885ALDH1A1 4773/4885SMN1; SMN2 4129/4885
US-20040014787-A1 Non-peptide GnRH agents, pharmaceutical compositions and methods for their use GNRHR, LHCGR, FSHR ALOX15 4695/4885ALDH1A1 4773/4885SMN1; SMN2 4129/4885

“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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