SCHEMBL4851072

SCHEMBL4851072

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.42
HSD17B3 P37058 6/20 0.42
CTNNB1 P35222 4/20 0.41
WNT3A P56704 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KLF5 Q13887 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL4850424 0.84 HPGD (0.52) HPGDATMHSD17B3CTNNB1WNT3A
SCHEMBL26940513 0.74 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940516 0.74 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940514 0.74 HPGD (0.74) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL8907172 0.73 ATM (0.43) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL27611333 0.73 HPGD (0.82) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL4843119 0.73 MAP3K14 (0.34)
SCHEMBL26940508 0.73 HPGD (0.72) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940494 0.73 HPGD (0.72) HPGDATMCTNNB1WNT3AALDH1A1
SCHEMBL26940501 0.73 HPGD (0.72) 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 50/4885ATM 4562/4885HSD17B3 252/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA HPGD 50/4885ATM 4562/4885HSD17B3 252/4885

“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.