SCHEMBL11985172

SCHEMBL11985172

O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(O)o1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ NOTUM Q6P988 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL11980697 0.88 ALDH1A1 (0.61) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL12950494 0.80 ALDH1A1 (0.50) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL991587 0.80 ALDH1A1 (0.52) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL11985078 0.79 HTT (0.60) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL19442008 0.78 RAB9A (0.60) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL19442006 0.78 ALDH1A1 (0.69) ALDH1A1RAB9ALMNANPC1L3MBTL1
SCHEMBL19442010 0.75 ABHD6 (0.52) POLBALDH1A1RAB9ANPC1TDP1
SCHEMBL22784252 0.74 NOTUM (0.64) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL27809091 0.72 ALDH1A1 (0.64) POLBALDH1A1RAB9ALMNANPC1
SCHEMBL15268192 0.72 CASP6 (0.46) POLBALDH1A1RAB9ATDP1MEN1

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 POLB 750/4885ALDH1A1 1130/4885RAB9A 3517/4885

“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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