SCHEMBL993874

SCHEMBL993874

CCCCCCCCCCCCCCOc1ccc(C(=O)OC(C)N2CCCCC2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR5 Q9H228 7/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL11555046 1.00 MEN1 (0.55) MEN1KMT2ATDP1THRATHRB
SCHEMBL11847058 0.88 MEN1 (0.52) MEN1KMT2ATDP1THRATHRB
SCHEMBL992353 0.84 KMT2A (0.52) MEN1KMT2ATDP1THRATHRB
SCHEMBL991661 0.82 MEN1 (0.68) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL11555049 0.79 KMT2A (0.56) MEN1KMT2ATDP1THRATHRB
SCHEMBL993875 0.79 KMT2A (0.56) MEN1KMT2ATDP1THRATHRB
SCHEMBL14856884 0.79 MEN1 (0.51) MEN1KMT2ATDP1THRATHRB
SCHEMBL991703 0.78 MEN1 (0.55) MEN1KMT2ATDP1THRATHRB
SCHEMBL991535 0.78 TDP1 (0.55) MEN1KMT2ATDP1L3MBTL1
SCHEMBL26049776 0.77 MEN1 (0.64) MEN1KMT2ATDP1MAPTMAPK1

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 11 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
EP-2641906-A1 Tofa analogs useful in treating dermatological disorders or conditions Dermira (Canada), Inc. (US) 2013-09-25 — — EP disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 — — US disclosed
EP-2451796-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Dermira (Canada), Inc. (CA) 2012-05-16 — — EP disclosed
WO-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 — — WO disclosed
US-4146623-A SUBSTITUTED FUROIC ACIDS AND ESTERS RICHARDSON-MERRELL INC. (US) 1979-03-27 — — US disclosed
US-4110351-A Hypolipidemic agents RO- or RS- substituted furoic acids, esters and salts RICHARDSON-MERRELL INC. (US) 1978-08-29 — — 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 MEN1 4056/4885KMT2A 2716/4885TDP1 3363/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 4056/4885KMT2A 2716/4885TDP1 3363/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 3929/4885KMT2A 3026/4885TDP1 3323/4885

“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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