SCHEMBL9942344

SCHEMBL9942344

C=CCN(CC=C)CC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OXTR P30559 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL458282 0.77 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL23670885 0.76 ALDH1A1 (0.41) ALDH1A1POLBTSHRSMN1; SMN2KMT2A
SCHEMBL19284879 0.76 ALDH1A1 (0.41) ALDH1A1POLBTSHRSMN1; SMN2KMT2A
SCHEMBL23688071 0.76 ALDH1A1 (0.41) ALDH1A1POLBTSHRSMN1; SMN2KMT2A
Oxirane SCHEMBL11562647 0.76 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL2139599 0.75 ALDH1A1 (0.39) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL27480971 0.75 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL15663014 0.75 OXTR (0.40) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL27926848 0.74 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPOLBTSHR
SCHEMBL21127002 0.74 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651910-B1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER-DANIELS-MIDLAND COMPANY (US) 2016-12-07 — — EP disclosed
EP-2752408-B1 Preparation of aminomethyl furans and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND CO (US) 2016-05-18 — — EP disclosed
US-8901326-B2 Preparation of aminomethyl furans and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND COMPANY (US) 2014-12-02 — — US disclosed
EP-2752408-A1 Preparation of aminomethyl furans and alkoxymethyl furan derivatives from carbohydrates Archer-Daniels-Midland Company (US) 2014-07-09 — — EP disclosed
US-20140148605-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER DANIELS MIDLAND COMPANY (US) 2014-05-29 — — US disclosed
US-8669383-B2 Preparation of aminomethyl furans and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND COMPANY (US) 2014-03-11 — — US disclosed
CN-103443090-A Preparation of aminomethyl furan and alkoxymethyl furan derivatives from carbohydrates ARCHER DANIELS MIDLAND CO 2013-12-11 — — CN disclosed
US-20130303791-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER DANIELS MIDLAND COMPANY (US) 2013-11-14 — — US disclosed
EP-2651910-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES Archer-Daniels-Midland Company (US) 2013-10-23 — — EP disclosed
WO-2012082665-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES ARCHER DANIELS MIDLAND COMPANY (US) 2012-06-21 — — WO 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-20140148605-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES DERA, HRH3, HRH4 ALDH1A1 395/4885LMNA 3870/4885MAPT 4615/4885
US-20130303791-A1 PREPARATION OF AMINOMETHYL FURANS AND ALKOXYMETHYL FURAN DERIVATIVES FROM CARBOHYDRATES DERA, HRH3, HRH4 ALDH1A1 395/4885LMNA 3870/4885MAPT 4615/4885

“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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