SCHEMBL23458173

SCHEMBL23458173

CC(C)N(C)c1c(C(C)(C)C)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.36
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
KCNJ11 Q14654 2/20 0.34
CYP2D6 P10635 3/20 0.33
HPRT1 P00492 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 2/20 0.33

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
SCHEMBL29862436 1.00 NCEH1 (0.36) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL24605116 0.82 HSD17B10 (0.41) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29862275 0.80 CYP1A2 (0.35) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29862036 0.77 TSHR (0.48) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL23458223 0.77 TSHR (0.48) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL23458228 0.77 SIGMAR1 (0.39) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29862163 0.76 CYP2A6 (0.38) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL23457987 0.76 CYP2A6 (0.38) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL23457995 0.75 SMN1; SMN2 (0.38) NCEH1HSD17B10TDP1CYP2A6TSHR
SCHEMBL23458167 0.73 CYP1A2 (0.40) NCEH1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12510529-B2 Method for determining authenticity and adulteration of marked petroleum hydrocarbons SICPA HOLDING SA (CH) 2025-12-30 US disclosed
EP-4069806-B1 METHOD OF MARKING A PETROLEUM HYDROCARBON SICPA HOLDING SA (CH) 2025-04-16 EP disclosed
US-20240327736-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON SICPA HOLDING SA (CH) 2024-10-03 US disclosed
US-12031098-B2 Method of marking a petroleum hydrocarbon SICPA HOLDING SA (CH) 2024-07-09 US disclosed
EP-4069807-B1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS SICPA HOLDING SA (CH) 2023-10-04 EP disclosed
US-20230103579-A1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS SICPA HOLDING SA (CH) 2023-04-06 US disclosed
US-20230029106-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON SICPA HOLDING SA (CH) 2023-01-26 US disclosed
WO-2021110525-A1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS SICPA HOLDING SA (CH) 2021-06-10 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 (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-12510529-B2 Method for determining authenticity and adulteration of marked petroleum hydrocarbons CYP4A11, CYP11B1, CYP11A1 NCEH1 743/4885HSD17B10 491/4885TDP1 3766/4885

“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.