SCHEMBL14981007

SCHEMBL14981007

CCCn1nncc1CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.38
SLC9A1 P19634 1/20 0.36
GGPS1 O95749 2/20 0.35
MGMT P16455 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 1/20 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
SCHEMBL17570452 0.88 TOP2A (0.41) TOP2ASLC9A1GGPS1MGMTPTGS2
SCHEMBL3566504 0.86 SLC9A1 (0.41) TOP2ASLC9A1GGPS1ALDH1A1POLB
SCHEMBL18163273 0.85 GGPS1 (0.40) TOP2ASLC9A1GGPS1MGMTADORA2A
SCHEMBL24754052 0.84 SLC9A1 (0.42) TOP2ASLC9A1GGPS1PTGS2POLB
SCHEMBL10079215 0.84 SLC9A1 (0.42) TOP2ASLC9A1GGPS1PTGS2POLB
SCHEMBL24769808 0.83 MGMT (0.32) GGPS1MGMTPTGS2
SCHEMBL5656543 0.83 GGPS1 (0.36) TOP2ASLC9A1GGPS1MGMTADORA2A
SCHEMBL10814469 0.82
SCHEMBL3546972 0.82 GGPS1 (0.51) TOP2ASLC9A1GGPS1MGMT
Hydrochloric Acid SCHEMBL5655674 0.82 MGMT (0.47) TOP2ASLC9A1GGPS1MGMTADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833229-B2 Labeling precursors with squaric acid coupling SCV SPEZIAL-CHEMIKALIEN-VERTRIEBS GMBH (DE) 2023-12-05 US disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
EP-2321323-B1 DIMERIC DERIVATIVES OF ARTEMISININ AND APPLICATION IN ANTI-CANCER THERAPY PF MEDICAMENT (FR) 2013-05-29 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-11833229-B2 Labeling precursors with squaric acid coupling SCLY, SRRT, CS TOP2A 1757/4885SLC9A1 711/4885GGPS1 759/4885

“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.