SCHEMBL11985253

SCHEMBL11985253

CC(OC(=O)c1ccc(O)o1)OC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ GFER P55789 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALOX15 P16050 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
SCHEMBL11980681 0.89 MEN1 (0.46) MAPTCYP2C19CYP2C9AKR1C3MEN1
SCHEMBL19442077 0.84 CYP1A2 (0.41) CYP2C19CYP2C9MEN1KMT2AALDH1A1
SCHEMBL11985068 0.83 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL19442050 0.81 SETD7 (0.43) MAPTCYP2C19MEN1KMT2AALDH1A1
SCHEMBL19442010 0.80 ABHD6 (0.52) MAPTCYP2C19CYP2C9MEN1KMT2A
SCHEMBL11985248 0.78 RAB9A (0.46) MAPTALDH1A1POLBATM
SCHEMBL19442006 0.75 ALDH1A1 (0.69) MAPTALDH1A1MAPK1GRM5
SCHEMBL11980680 0.75 ALDH1A1 (0.53) MAPTCYP2C19CYP2C9AKR1C3MEN1
SCHEMBL11980688 0.72 POLB (0.44) CYP2C19CYP2C9MEN1KMT2AALDH1A1
SCHEMBL11980687 0.71 ALDH1A1 (0.50) MAPTCYP2C19KMT2AALDH1A1MAPK1

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 2 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-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 (1 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-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MAPT 2866/4885CYP2C19 244/4885CYP2C9 267/4885

“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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