SCHEMBL12680294

SCHEMBL12680294

CC(C)(C)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 6/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.32
AHR P35869 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL10871679 0.77 CA1 (0.41) CA1CA2CA9ALDH1A1TSHR
SCHEMBL22954099 0.75 CA1 (0.40) CA1CA2CA9ALDH1A1TSHR
SCHEMBL13020125 0.75 KMT2A (0.38) ALDH1A1TSHRKMT2ATDP1HPGD
SCHEMBL5157423 0.74 PPARA (0.55) ALDH1A1TSHRHSD17B10CYP3A4KMT2A
SCHEMBL25185334 0.73
SCHEMBL13019811 0.72 TSHR (0.42) TSHRCYP3A4KMT2AMAPTTDP1
SCHEMBL3786242 0.72 TSHR (0.35) ALDH1A1TSHRCYP3A4KMT2AMAPT
SCHEMBL13876906 0.71 SLC6A2 (0.48) TSHRCYP3A4KMT2AMAPTTDP1
SCHEMBL54507 0.70 KMT2A (0.47) CA1CA2CA9ALDH1A1TSHR
SCHEMBL1764467 0.70 CA1 (0.40) CA1CA2CA9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 US disclosed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 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 (3 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS CA1 542/4885CA2 351/4885CA9 290/4885
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS CA1 557/4885CA2 340/4885CA9 317/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR CA1 3393/4885CA2 4214/4885CA9 3661/4885

“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.