SCHEMBL11980681

SCHEMBL11980681

Cc1ccc(C(=O)OC(C)OC(=O)N2CCN(c3ccccc3)CC2)o1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL11985253 0.89 MAPT (0.42) MEN1KMT2APOLBCYP2C19MAPT
SCHEMBL11980688 0.84 POLB (0.44) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL11980687 0.83 ALDH1A1 (0.50) KMT2APOLBCYP2C19CYP1A2MAPT
SCHEMBL11980684 0.81 ALDH1A1 (0.43) MEN1KMT2APOLBCYP2C19MAPT
SCHEMBL11980685 0.79 ABHD6 (0.51) MEN1KMT2APOLBCYP2C19CYP1A2
SCHEMBL11980694 0.77 ALDH1A1 (0.67) MAPTALDH1A1L3MBTL1
SCHEMBL11980680 0.75 ALDH1A1 (0.53) MEN1KMT2APOLBCYP2C19MAPT
SCHEMBL19442077 0.72 CYP1A2 (0.41) MEN1KMT2ACYP2C19CYP1A2ALDH1A1
SCHEMBL11985068 0.71 ALDH1A1 (0.39) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL19442050 0.70 SETD7 (0.43) MEN1KMT2APOLBCYP2C19MAPT

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 MEN1 4056/4885KMT2A 2716/4885POLB 899/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 4056/4885KMT2A 2716/4885POLB 899/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 3929/4885KMT2A 3026/4885POLB 750/4885

“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.

Send feedback