SCHEMBL10246599

SCHEMBL10246599

C=C(C)CN(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PYCR1 P32322 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 1/20 0.47
AOC3 Q16853 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL606164 0.82 CYP2C19 (0.52) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL10246603 0.82 ALDH1A1 (0.46) ALDH1A1TSHRLMNAAOC3KDM4E
SCHEMBL9779259 0.81 MAOA (0.60) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL3106474 0.80 RAB9A (0.53) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL6534426 0.79 CARM1 (0.46) ALDH1A1TSHRCARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL9151457 0.79 LSS (0.53) ALDH1A1LMNAUSP2KDM4EMAPT
SCHEMBL3332610 0.79 ALDH1A1 (0.58) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL12842010 0.78 ALDH1A1 (0.43) ALDH1A1TSHRLMNAAOC3KDM4E
SCHEMBL26646735 0.78 ALDH1A1 (0.45) ALDH1A1TSHRCARM1PRMT6PRMT8
Dibemethine SCHEMBL10542007 0.78 ALDH1A1 (0.70) ALDH1A1TSHRCARM1PRMT6PRMT8

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
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B ALDH1A1 3325/4885TSHR 1474/4885CARM1 4337/4885

“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.