SCHEMBL18013744

SCHEMBL18013744

CCCCCCCCCCCCCCOC(=O)c1ccc(OCCCCCCCCCCCCCC)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MMP2 P08253 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ ESR1 P03372 3/20 0.47

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
SCHEMBL992355 0.94 MEN1 (0.66) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL11558044 0.93 MEN1 (0.71) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL11554831 0.93 MEN1 (0.71) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL18256284 0.92 MEN1 (0.66) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL991809 0.92 MEN1 (0.66) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL992244 0.91 MEN1 (0.61) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL991408 0.89 MEN1 (0.63) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL16268280 0.89 ALDH1A1 (0.62) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL1357375 0.89 ALDH1A1 (0.62) TDP1MEN1KMT2AALDH1A1TSHR
SCHEMBL15422580 0.89 ALDH1A1 (0.62) TDP1MEN1KMT2AALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975867-B2 Synthetic process for preparing 2-furoic acid derivatives DERMIRA INC. (US) 2018-05-22 — — US disclosed
US-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA, INC. 2018-02-01 — — US disclosed
US-20160229825-A1 SYNTHETIC PROCESS FOR PREPARING 2-FUROIC ACID DERIVATIVES DERMIRA, INC. 2016-08-11 — — US disclosed
US-20160229825-A1 SYNTHETIC PROCESS FOR PREPARING 2-FUROIC ACID DERIVATIVES DERMIRA, INC. 2016-08-11 — — 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 (2 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-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE CUTA, CYP1A2, DPM1 TDP1 2071/4885MEN1 3030/4885KMT2A 339/4885
US-20160229825-A1 SYNTHETIC PROCESS FOR PREPARING 2-FUROIC ACID DERIVATIVES ALAD, CYP4F2, CYP2F1 TDP1 4047/4885MEN1 2178/4885KMT2A 1455/4885

“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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