SCHEMBL993875

SCHEMBL993875

CCCCCCCCCCCCCCOc1ccc(C(=O)OCCN2CCCCC2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ LTA4H P09960 1/20 0.51
▸ THRB P10828 4/20 0.50
▸ THRA P10827 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ ACHE P22303 1/20 0.45

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
SCHEMBL11555049 1.00 KMT2A (0.56) KMT2AMEN1TDP1LTA4HTHRB
SCHEMBL991703 0.94 MEN1 (0.55) KMT2AMEN1TDP1LTA4HTHRB
SCHEMBL991095 0.90 KMT2A (0.55) KMT2AMEN1TDP1THRBTHRA
SCHEMBL11847065 0.87 MEN1 (0.52) KMT2AMEN1TDP1LTA4HTHRB
SCHEMBL992134 0.84 KMT2A (0.54) KMT2AMEN1TDP1THRBTHRA
SCHEMBL18013744 0.84 TDP1 (0.73) KMT2AMEN1TDP1KDM4ETSHR
SCHEMBL991535 0.83 TDP1 (0.55) KMT2AMEN1TDP1SMN1; SMN2NPC1
SCHEMBL11558044 0.80 MEN1 (0.71) KMT2AMEN1TDP1KDM4ETSHR
SCHEMBL11554831 0.80 MEN1 (0.71) KMT2AMEN1TDP1KDM4ETSHR
SCHEMBL18256284 0.79 MEN1 (0.66) KMT2AMEN1TDP1KDM4ETSHR

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 KMT2A 2716/4885MEN1 4056/4885TDP1 3363/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP KMT2A 2716/4885MEN1 4056/4885TDP1 3363/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP KMT2A 3026/4885MEN1 3929/4885TDP1 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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