SCHEMBL4850424

SCHEMBL4850424

CCCCCC(=O)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
PTGS2 P35354 4/20 0.47
RXRA P19793 1/20 0.46
HNF4A P41235 1/20 0.46
ATM Q13315 1/20 0.45
PTGS1 P23219 3/20 0.45
HSD17B3 P37058 6/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KLF5 Q13887 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL4851326 0.85 RXRA (0.41) HPGDPTGS2RXRAHNF4AATM
SCHEMBL4851072 0.84 HPGD (0.49) HPGDPTGS2ATMHSD17B3CTNNB1
SCHEMBL7143184 0.81 CYP3A4 (0.54) PTGS2RXRAPTGS1HSD17B3RARA
SCHEMBL3346290 0.78 RARB (0.64) RXRAHNF4ARARARARBRARG
SCHEMBL9144307 0.78 KDM4E (0.54) RXRAHNF4AMAPTRARARARB
SCHEMBL5367554 0.77 CYP3A4 (0.56) PTGS2RXRAPTGS1HSD17B3ALDH1A1
SCHEMBL26940513 0.76 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940514 0.76 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940516 0.76 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL27611333 0.76 HPGD (0.82) HPGDATMCTNNB1WNT3AALDH1A1

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 HPGD 50/4885PTGS2 1333/4885RXRA 3/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA HPGD 50/4885PTGS2 1333/4885RXRA 3/4885

“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.