SCHEMBL11980688

SCHEMBL11980688

Cc1ccc(C(=O)OC(C)OC(=O)N2CCOCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FKBP1A P62942 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL11980687 0.88 ALDH1A1 (0.50) POLBTDP1CYP1A2CYP2C19ALDH1A1
SCHEMBL19442077 0.87 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL11980681 0.84 MEN1 (0.46) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11980684 0.84 ALDH1A1 (0.43) POLBTDP1CYP2C19ALDH1A1L3MBTL1
SCHEMBL11980685 0.79 ABHD6 (0.51) POLBTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL991710 0.78 MEN1 (0.51) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL11980682 0.76 RAB9A (0.46) POLBALDH1A1KMT2ATP53TSHR
SCHEMBL11985068 0.75 ALDH1A1 (0.39) POLBTDP1ALDH1A1L3MBTL1MEN1
SCHEMBL11980704 0.74 RAB9A (0.64) POLBTDP1ALDH1A1L3MBTL1MEN1
SCHEMBL11985253 0.72 MAPT (0.42) POLBCYP2C9CYP2C19ALDH1A1MEN1

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 POLB 899/4885TDP1 3363/4885CYP1A2 132/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP POLB 899/4885TDP1 3363/4885CYP1A2 132/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP POLB 750/4885TDP1 3323/4885CYP1A2 94/4885

“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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