SCHEMBL8559924

SCHEMBL8559924

CCc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
CYP1A2 P05177 4/20 0.67
MAPT P10636 2/20 0.67
FYN P06241 2/20 0.67
ACHE P22303 2/20 0.67
AHR P35869 2/20 0.67
LCK P06239 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
SLC6A2 P23975 1/20 0.67
HPGD P15428 2/20 0.40
HSD17B10 Q99714 3/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ATM Q13315 1/20 0.38
HPRT1 P00492 4/20 0.37
SOS1 Q07889 1/20 0.37
ERBB2 P04626 1/20 0.37
MAOA P21397 1/20 0.37
ANPEP P15144 1/20 0.36
CYP2C19 P33261 2/20 0.35

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
3-Methylcholanthrene SCHEMBL29444145 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2MAPTFYNACHE
3-Methylcholanthrene SCHEMBL29397062 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2MAPTFYNACHE
3-Methylcholanthrene SCHEMBL156129 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2MAPTFYNACHE
3-Methylcholanthrene SCHEMBL2958054 0.79 ALDH1A1 (0.97) ALDH1A1CYP1A2MAPTFYNACHE
3-Methylcholanthrene SCHEMBL27621124 0.79 ALDH1A1 (0.97) ALDH1A1CYP1A2MAPTFYNACHE
Cholanthrene SCHEMBL9048 0.75 ALDH1A1 (0.65) ALDH1A1CYP1A2MAPTFYNACHE
SCHEMBL10484179 0.72 HPRT1 (0.56) ALDH1A1CYP1A2MAPTHPGDHSD17B10
SCHEMBL28783299 0.71 CYP1A2 (0.62) ALDH1A1CYP1A2MAPTFYNACHE
SCHEMBL7794322 0.69 CYP1A2 (0.48) ALDH1A1CYP1A2MAPTFYNACHE
SCHEMBL5379988 0.68 CYP11B1 (0.44) ALDH1A1CYP1A2MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240272149-A1 DETECTION OF BIOACTIVE AGENTS IN A SURROUNDING MEDIUM PHILIP MORRIS PRODUCTS S.A. (CH) 2024-08-15 US disclosed
EP-4413367-A1 DETECTION OF BIOACTIVE AGENTS IN A SURROUNDING MEDIUM Philip Morris Products S.A. (CH) 2024-08-14 EP disclosed
WO-2023057602-A1 DETECTION OF BIOACTIVE AGENTS IN A SURROUNDING MEDIUM PHILIP MORRIS PRODUCTS S.A. (CH) 2023-04-13 WO disclosed
US-10064834-B2 Carbidopa for the treatment of cancer TEXAS TECH UNIVERSITY SYSTEM (US) 2018-09-04 US disclosed
US-20170319527-A1 Carbidopa for the Treatment of Cancer TEXAS TECH UNIVERSITY SYSTEM 2017-11-09 US disclosed
US-5766588-A Tumor immunotherapy using anti-idiotypic antibodies ONCOGEN (US) 1998-06-16 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 (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-20170319527-A1 Carbidopa for the Treatment of Cancer IDO1, IDO2, INMT ALDH1A1 934/4885CYP1A2 2508/4885MAPT 4199/4885
US-10064834-B2 Carbidopa for the treatment of cancer IDO1, IDO2, INMT ALDH1A1 934/4885CYP1A2 2508/4885MAPT 4199/4885

“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.