SCHEMBL3374772

SCHEMBL3374772

CC(C)(C)C(C=O)=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
AKR1C3 P42330 1/20 0.47
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
FBP1 P09467 3/20 0.42
CYP2A6 P11509 1/20 0.42
AKR1C1 Q04828 1/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
EGFR P00533 1/20 0.39
NR1I2 O75469 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL18815412 1.00 ALDH1A1 (0.57) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL15130086 0.81 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3LMNAFBP1
SCHEMBL30466140 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL4351595 0.79 NPC1 (0.49) ALDH1A1TSHRLMNATDP1FBP1
SCHEMBL1922782 0.78 ALDH1A1 (0.52) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL28252411 0.78 TDP1 (0.41) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL30466153 0.77 LMNA (0.49) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL10431162 0.75 TSHR (0.40) ALDH1A1TSHRAKR1C3LMNATDP1
SCHEMBL17795946 0.75 NPC1 (0.49) ALDH1A1TSHRLMNATDP1RECQL
SCHEMBL12593472 0.75 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3LMNAFBP1

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
US-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US disclosed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP 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-20100256421-A1 Propanal Production Methods ALDH2, ALDH1A3, TERT ALDH1A1 4/4885TSHR 2104/4885AKR1C3 512/4885

“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.