SCHEMBL4850254

SCHEMBL4850254

CCCCCC(C=C(Br)Br)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CTSK P43235 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
ESR2 Q92731 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CNR2 P34972 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL4848678 0.90 KDM1A (0.40) KDM1APTGS1PTGS2CTSKCTSL
SCHEMBL4848988 0.84 KDM1A (0.40) KDM1APTGS1PTGS2ESR2RARB
SCHEMBL4844192 0.82 KDM1A (0.39) KDM1APTGS1PTGS2ESR2RARB
SCHEMBL4853714 0.81 HDAC1 (0.39) KDM1ARARBRARGCNR2PDE4A
SCHEMBL4853701 0.81 HDAC1 (0.39) KDM1ARARBRARGCNR2PDE4A
SCHEMBL4853709 0.81 HDAC1 (0.39) KDM1ARARBRARGCNR2PDE4A
SCHEMBL4843508 0.77 RARB (0.47) KDM1ARARBRARGRXRAHNF4A
SCHEMBL4847633 0.76 HDAC1 (0.39) KDM1ARARBRARGCNR2PDE4A
SCHEMBL6151763 0.75 RXRA (0.40) RARBRARGRXRAHNF4A
SCHEMBL6151765 0.75 RXRA (0.40) RARBRARGRXRAHNF4A

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 7 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

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 KDM1A 2792/4885PTGS1 1073/4885PTGS2 1333/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA KDM1A 2792/4885PTGS1 1073/4885PTGS2 1333/4885

“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.