SCHEMBL4849414

SCHEMBL4849414

CC(C)(O)CCOc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 6/20 0.49
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 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
SCHEMBL15022552 0.92 ALDH1A1 (0.52) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL29932911 0.86 MAOB (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL6273172 0.86 MAOB (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL3925411 0.83 KDM4E (0.49) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL19384427 0.83 MAOB (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL13097103 0.83 CHRNB2 (0.60)
SCHEMBL31173236 0.83 MAOB (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL15060276 0.81 ALDH1A1 (0.49) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL5835231 0.81 FDPS (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL6240987 0.81 MAPK1 (0.54) KDM4EALDH1A1LMNAKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO disclosed
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 US disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 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-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA KDM4E 3250/4885ALDH1A1 160/4885LMNA 1113/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA KDM4E 3250/4885ALDH1A1 160/4885LMNA 1113/4885

“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.