SCHEMBL9921252

SCHEMBL9921252

CCC(C)(C)Cc1ccc(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
GGPS1 O95749 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 2/20 0.31
IDO1 P14902 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
HPGD P15428 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL19308329 0.83 GGPS1 (0.50) RAB9AGGPS1MAPTKMT2AIDO1
SCHEMBL803376 0.82 GGPS1 (0.37) RAB9AGGPS1MAPTATML3MBTL1
SCHEMBL15943539 0.81 FDPS (0.34) GGPS1IDO1HTR2ASLC6A4
SCHEMBL25039130 0.80 P2RX7 (0.40) RAB9AMAPTKMT2AP2RX7HPGD
SCHEMBL14565894 0.80 GRIN2D (0.32)
SCHEMBL14565885 0.79 ESR1 (0.37) RAB9AGGPS1KMT2AHTR2ASLC6A4
SCHEMBL13509645 0.78 RIPK1 (0.35) P2RX7
SCHEMBL13552300 0.77 SLC6A4 (0.41) KMT2ANPSR1HTR2ASLC6A4KCNH2
SCHEMBL20181909 0.77 DAO (0.43) MAPTL3MBTL1P2RX7IDO1HTR2A
SCHEMBL12828157 0.77 GGPS1 (0.36) RAB9AGGPS1MAPTATML3MBTL1

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-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 RAB9A 2617/4885GGPS1 1543/4885MAPT 4569/4885
US-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E RAB9A 1921/4885GGPS1 541/4885MAPT 4081/4885

“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.