SCHEMBL7535591

SCHEMBL7535591

C=CN(C)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 2/20 0.52
ACHE P22303 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CHRNA7 P36544 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
CYP2A6 P11509 1/20 0.33
TGM2 P21980 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL14390627 0.78 APP (0.48) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL19371166 0.78 APP (0.48) ALDH1A1TSHRACHEMAPTALOX15
SCHEMBL516739 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL3293248 0.77 MEN1 (0.42) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL516229 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHETDP1MAPT
Hydrochloric Acid SCHEMBL27914281 0.75 MEN1 (0.41) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL2091673 0.75 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL11824897 0.75 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL7541402 0.73 TDP1 (0.47) ALDH1A1ACHETDP1MAPTCYP2C19
SCHEMBL14281278 0.73 ALDH1A1 (0.39) ALDH1A1TSHRACHETDP1MAPT

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
EP-1223161-A2 Method to stabilise and/or lower the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-17 EP disclosed
US-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-11 US disclosed
US-6384216-B1 CARRYING OUT TWO DISTILLATIONS IN WHICH THE PURIFIED ALKENYL COMPOUNDS OBTAINED FROM GAS PHASE BY CONDENSATION, WHERE THE TIME BETWEEN FIRST DISTILLATION AFTER SYNTHESIS OF ALKENYL COMPOUNDS AND FURTHER DISTILLATION BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 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-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds SOD1, NOX4, CAT ALDH1A1 462/4885TSHR 4454/4885ACHE 1814/4885
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS TPR, AGPAT5, PCNA ALDH1A1 1108/4885TSHR 3704/4885ACHE 1407/4885

“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.