SCHEMBL11985248

SCHEMBL11985248

CC(OC(=O)c1ccc(O)o1)OC(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PRMT5 O14744 6/20 0.43
▸ WDR77 Q9BQA1 6/20 0.43
▸ TP53 P04637 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SCD O00767 2/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PDE4B Q07343 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
SCHEMBL11980682 0.90 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL992358 0.81 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11985068 0.80 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11985253 0.78 MAPT (0.42) MAPTALDH1A1POLBATM
SCHEMBL11980683 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL19442077 0.76 CYP1A2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL19442010 0.76 ABHD6 (0.52) RAB9ANPC1MAPTALDH1A1POLB
SCHEMBL19442050 0.73 SETD7 (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL19493611 0.71 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL12791451 0.71 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 — — US disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 — — US 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 (1 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-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP RAB9A 3517/4885NPC1 2268/4885SMN1; SMN2 4649/4885

“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.

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