SCHEMBL13677282

SCHEMBL13677282

CCC(C)c1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.37
APLNR P35414 1/20 0.36
S1PR3 Q99500 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMO O15229 1/20 0.34
PTK2 Q05397 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19464637 1.00 MAPT (0.42) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL13104799 1.00 MAPT (0.42) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL22808233 0.85 L3MBTL1 (0.48) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL3532948 0.82 ESR1 (0.39) ESR1ESR2MAPK1L3MBTL1APLNR
SCHEMBL24501229 0.82 ESR1 (0.42) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL21014315 0.82 ESR1 (0.46) MAPTESR1ESR2MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL3572257 0.81 ESR1 (0.38) ESR1ESR2MAPK1L3MBTL1APLNR
SCHEMBL18264361 0.80 TSHR (0.40) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL18264342 0.80 TSHR (0.40) MAPTESR1ESR2MAPK1L3MBTL1
SCHEMBL19232028 0.79 MAPK1 (0.41) MAPTESR1ESR2MAPK1L3MBTL1

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-20210340120-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-04 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 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 (4 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MAPT 1796/4885ESR1 3810/4885ESR2 1535/4885
US-20210340120-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 MAPT 288/4885ESR1 3325/4885ESR2 3541/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885ESR1 2700/4885ESR2 1201/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ESR1 2700/4885ESR2 1201/4885

“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.