SCHEMBL16736747

SCHEMBL16736747

CCCc1cc(Br)c(C(C)(C)C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.44
▸ ALOX15 P16050 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATP2A2 P16615 1/20 0.43
▸ ATP2A3 Q93084 1/20 0.43
▸ HSPA5 P11021 2/20 0.35
▸ CYP2C9 P11712 4/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN11 Q06124 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
SCHEMBL16736829 0.90 TYR (0.46) HMGCRALOX15ALDH1A1MAPTCYP1A2
SCHEMBL16736855 0.85 ALOX15 (0.46) ALOX15ALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL18272105 0.83 TYR (0.46) HMGCRALOX15ALDH1A1MAPTCYP1A2
SCHEMBL3612221 0.80 ALOX15 (0.45) ALOX15ALDH1A1MAPTCYP1A2SMN1; SMN2
SCHEMBL27482806 0.80 HMGCR (0.46) HMGCRALOX15ALDH1A1MAPTCYP1A2
SCHEMBL16736755 0.80 HMGCR (0.46) HMGCRALOX15ALDH1A1MAPTCYP1A2
SCHEMBL16736683 0.79 HMGCR (0.48) HMGCRALOX15ALDH1A1MAPTKDM4E
SCHEMBL16736703 0.79 HMGCR (0.52) HMGCRALOX15ALDH1A1MAPTKDM4E
SCHEMBL16736854 0.79 HMGCR (0.44) HMGCRALOX15ALDH1A1MAPTCYP1A2
SCHEMBL16736884 0.79 ALOX15 (0.48) HMGCRALOX15ALDH1A1MAPTCYP1A2

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 HMGCR 2432/4885ALOX15 1851/4885ALDH1A1 852/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885ALOX15 1851/4885ALDH1A1 852/4885

“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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