SCHEMBL11980684

SCHEMBL11980684

Cc1ccc(C(=O)OC(C)OC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SETD7 Q8WTS6 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL19442050 0.88 SETD7 (0.43) ALDH1A1L3MBTL1SETD7POLBHTT
SCHEMBL11980687 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1POLBTDP1MAPT
SCHEMBL11980688 0.84 POLB (0.44) ALDH1A1L3MBTL1POLBTDP1HTT
SCHEMBL11980681 0.81 MEN1 (0.46) ALDH1A1L3MBTL1POLBMAPTMEN1
SCHEMBL11980691 0.79 CASP6 (0.46) ALDH1A1L3MBTL1SETD7TDP1HTT
SCHEMBL11980685 0.76 ABHD6 (0.51) ALDH1A1POLBTDP1HTTMAPT
SCHEMBL2939599 0.73 POLB (0.46) ALDH1A1L3MBTL1POLBTDP1HTT
SCHEMBL11985068 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBTDP1HTT
SCHEMBL19442077 0.72 CYP1A2 (0.41) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL1087440 0.70 ALDH1A1 (0.51) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2

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 6 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-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 — — US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 — — US disclosed
US-20150025069-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA CANADA INC (US) 2015-01-22 — — US disclosed
US-8884034-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2014-11-11 — — 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 (3 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-20150025069-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP ALDH1A1 1535/4885L3MBTL1 4866/4885SETD7 4511/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP ALDH1A1 1535/4885L3MBTL1 4866/4885SETD7 4511/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP ALDH1A1 1130/4885L3MBTL1 4875/4885SETD7 4476/4885

“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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