SCHEMBL16736855

SCHEMBL16736855

CCc1cc(Br)c(C(C)(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ATP2A2 P16615 1/20 0.46
▸ ATP2A3 Q93084 1/20 0.46
▸ HSPA5 P11021 2/20 0.41
▸ ESR1 P03372 3/20 0.39
▸ ESR2 Q92731 3/20 0.39
▸ MCL1 Q07820 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CGAS Q8N884 1/20 0.35
▸ CYP2C9 P11712 3/20 0.35

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
SCHEMBL16736747 0.85 HMGCR (0.44) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL3612221 0.83 ALOX15 (0.45) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL16736829 0.82 TYR (0.46) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL9636859 0.80 HSPA5 (0.52) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL16736796 0.78 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL16736925 0.78 MCL1 (0.47) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8764397 0.77 MCL1 (0.42) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6223425 0.77 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL16736693 0.77 ALOX15 (0.47) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL16736821 0.77 ALOX15 (0.71) ALOX15ALDH1A1SMN1; SMN2CYP1A2KDM4E

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 9 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
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 — — WO 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 1851/4885ALDH1A1 852/4885SMN1; SMN2 210/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR ALOX15 1851/4885ALDH1A1 852/4885SMN1; SMN2 210/4885

“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.

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