SCHEMBL11980685

SCHEMBL11980685

Cc1ccc(C(=O)OC(C)OC(=O)N2CCc3ccccc3C2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.46
▸ PDE4B Q07343 3/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL19442010 0.90 ABHD6 (0.52) ABHD6TDP1PDE4BPDE4DNPC1
SCHEMBL11908914 0.80 MEN1 (0.46) ABHD6TDP1PDE4BPDE4DNPC1
SCHEMBL11980687 0.80 ALDH1A1 (0.50) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11980688 0.79 POLB (0.44) TDP1SMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL11980681 0.79 MEN1 (0.46) MAPTALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL11980697 0.77 ALDH1A1 (0.61) TDP1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL6102363 0.76 ABHD6 (0.68) ABHD6TDP1NPC1MAPTRAB9A
SCHEMBL11980684 0.76 ALDH1A1 (0.43) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11980686 0.75 ABHD6 (0.66) ABHD6TDP1NPC1MAPTRAB9A
SCHEMBL7454462 0.72 ABHD6 (0.61) ABHD6TDP1NPC1MAPTRAB9A

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 ABHD6 395/4885TDP1 3363/4885PDE4B 3593/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP ABHD6 395/4885TDP1 3363/4885PDE4B 3593/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP ABHD6 460/4885TDP1 3323/4885PDE4B 3555/4885

“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