SCHEMBL15782887

SCHEMBL15782887

Cc1cccc(OCC(C)(C)O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
SSTR4 P31391 1/20 0.48
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD3 P35462 1/20 0.44
FDPS P14324 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Dimethylamine SCHEMBL11202972 0.93 SSTR4 (0.47) ACHESSTR4KMT2AGAAADRB2
SCHEMBL3711600 0.85 ACHE (0.52) ACHESSTR4KMT2AGAALMNA
SCHEMBL29690187 0.85 ACHE (0.52) ACHESSTR4KMT2AGAALMNA
SCHEMBL469975 0.83 CHRNB2 (0.54) LMNADRD2DRD4DRD3
SCHEMBL5835231 0.82 FDPS (0.51) ACHEKMT2ALMNADRD2DRD4
SCHEMBL18391396 0.82 KMT2A (0.48) ACHESSTR4KMT2AGAALMNA
SCHEMBL16252778 0.81 ACHE (0.48) ACHESSTR4KMT2AGAAADRB2
SCHEMBL7291330 0.81 LMNA (0.54) LMNAMAOBKDM4E
SCHEMBL18481794 0.80 TP53 (0.40) KMT2ATDP1SMN1; SMN2POLB
SCHEMBL20347940 0.80 SOD1 (0.50) ACHELMNAL3MBTL1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 WO disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2017006271-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
WO-2017006270-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
WO-2017006282-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2017-01-12 WO disclosed
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 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 (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-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 ACHE 3937/4885SSTR4 399/4885KMT2A 3766/4885

“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.