SCHEMBL4865476

SCHEMBL4865476

CCOC(C)OCC.O=CCNCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TK1 P04183 1/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.37
MAPT P10636 2/20 0.37
BCHE P06276 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9622964 0.83 KMT2A (0.56) SMN1; SMN2MEN1KMT2ATDP1LMNA
Phenylacetaldehyde SCHEMBL452558 0.82 LMNA (0.44) SMN1; SMN2MEN1KMT2ATAAR1LMNA
SCHEMBL3130447 0.81 MEN1 (0.58) ADH1BADH1CADH1AADH7DPP7
SCHEMBL7738687 0.79 LMNA (0.39) SMN1; SMN2MEN1KMT2ATDP1TAAR1
Phenylacetaldehyde SCHEMBL1412189 0.79 LMNA (0.41) SMN1; SMN2MEN1KMT2ATAAR1LMNA
Dihydrocinnamaldehyde SCHEMBL598211 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ATAAR1LMNA
SCHEMBL11505545 0.77 LMNA (0.57) TDP1LMNAALDH1A1
SCHEMBL11185055 0.76 HSD17B10 (0.48) SMN1; SMN2MEN1KMT2ALMNAMAPT
Phenylacetaldehyde SCHEMBL10892064 0.76 LMNA (0.39) SMN1; SMN2MEN1KMT2ATDP1TAAR1
SCHEMBL7949742 0.75 TSHR (0.42) MEN1KMT2ATAAR1TK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 EP claimed
US-7345040-B2 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INC. (US) 2008-03-18 US disclosed
US-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INCORPORATED (US) 2005-11-10 US disclosed
WO-2004035587-A1 REVERSE-TURN MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2004-04-29 WO disclosed
US-4137268-A Method of preparing aminoacetaldehyde acetals by the hydrogenation of dialkoxyacetonitrile DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-01-30 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-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto TAC3, NTSR1, SCTR SMN1; SMN2 3294/4885ADH1B 2805/4885ADH1C 4362/4885

“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.