SCHEMBL16736884

SCHEMBL16736884

CCCc1cc(O)c(C(C)(C)C)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATP2A2 P16615 1/20 0.48
▸ ATP2A3 Q93084 1/20 0.48
▸ TP53 P04637 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HSPA5 P11021 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ TYR P14679 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ MIF P14174 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
SCHEMBL16736687 0.90 ALOX15 (0.45) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736749 0.85 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL27494856 0.80 CYP2C9 (0.50) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736703 0.79 HMGCR (0.52) ALOX15ALDH1A1KDM4EMAPTLMNA
SCHEMBL28365844 0.79 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736885 0.79 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736921 0.79 ALOX15 (0.48) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16736747 0.79 HMGCR (0.44) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL2483068 0.77 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL27437121 0.77 ALOX15 (0.47) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2

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 1851/4885ALDH1A1 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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