SCHEMBL3235386

SCHEMBL3235386

COc1ccc(B(O)O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
CNR2 P34972 3/20 0.43
PPARG P37231 1/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
RARA P10276 1/20 0.41
HSPD1 P10809 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 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
SCHEMBL6447663 0.81 CNR2 (0.50) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL4748043 0.78 KMT2A (0.43) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL9763566 0.78 KMT2A (0.43) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL11783889 0.78 ALDH1A1 (0.49) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL9763559 0.77 KMT2A (0.42) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL7904172 0.77 KMT2A (0.48) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL6878528 0.77 KMT2A (0.51) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL18043698 0.76 CNR2 (0.48) KMT2ACNR2PPARGMEN1LMNA
SCHEMBL18043697 0.76 CNR2 (0.48) KMT2ACNR2MEN1LMNATDP1
SCHEMBL5613344 0.76 PPARG (0.44) KMT2ACNR2PPARGMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210869-A1 New method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid Galderma Research & Development (FR) 2010-07-28 EP claimed
EP-1868980-B1 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RES & DEV (FR) 2010-07-28 EP claimed
US-7498461-B2 Method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-03 US claimed
US-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-04-17 US claimed
EP-1868980-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID Galderma Research & Development (FR) 2007-12-26 EP claimed
WO-2006108717-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-19 WO claimed
EP-2210869-A1 New method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid Galderma Research & Development (FR) 2010-07-28 EP disclosed
EP-1868980-B1 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RES & DEV (FR) 2010-07-28 EP disclosed
US-7498461-B2 Method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-03 US disclosed
US-7498461-B2 Method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-03 US disclosed
WO-2008126104-A2 NOVEL PROCESS FOR PREPARATION OF ADAPALENE INDOCO REMEDIES LIMITED (IN) 2008-10-23 WO disclosed
US-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-04-17 US disclosed
US-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-04-17 US disclosed
US-7345189-B2 Process for the preparation of adapalene DIPHARMA S.P.A. (IT) 2008-03-18 US disclosed
EP-1868980-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID Galderma Research & Development (FR) 2007-12-26 EP disclosed
EP-1707555-B1 A process for the preparation of adapalene LUNDBECK PHARMACEUTICALS ITALY (IT) 2007-11-14 EP disclosed
WO-2006108717-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-19 WO disclosed
US-20060229465-A1 Process for the preparation of adapalene LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2006-10-12 US disclosed
EP-1707555-A1 A process for the preparation of adapalene Dipharma S.p.A. (IT) 2006-10-04 EP 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-20080091045-A1 Novel method for the preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid CYP2B6, CYP2A6, CYP26B1 KMT2A 3014/4885CNR2 2456/4885PPARG 1880/4885
US-20060229465-A1 Process for the preparation of adapalene NR3C2, NR0B2, NR0B1 KMT2A 3713/4885CNR2 473/4885PPARG 1979/4885

“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.