SCHEMBL16736743

SCHEMBL16736743

CCCCc1cc(O)c(C(C)(C)C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
ATP2A2 P16615 1/20 0.45
ATP2A3 Q93084 1/20 0.45
TP53 P04637 5/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
TYR P14679 3/20 0.42
CYP2D6 P10635 1/20 0.40
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16736921 0.90 ALOX15 (0.48) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL30320332 0.84 ALOX15 (0.56) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28365844 0.83 ALOX15 (0.48) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL16117993 0.82 ALOX15 (0.52) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL27365451 0.81 ALOX15 (0.47) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL27257334 0.81 ALOX15 (0.47) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL3408192 0.81 ALOX15 (0.56) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL30604741 0.81 ALOX15 (0.56) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL16736745 0.80 TYR (0.53) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL16736687 0.80 ALOX15 (0.45) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 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 (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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ALOX15 1851/4885SMN1; SMN2 210/4885MAPT 259/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ALOX15 1851/4885SMN1; SMN2 210/4885MAPT 259/4885

“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.