SCHEMBL16736755

SCHEMBL16736755

CCCc1cc(F)c(C(C)(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.46
▸ ALOX15 P16050 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ATP2A2 P16615 1/20 0.45
▸ ATP2A3 Q93084 1/20 0.45
▸ LMNA P02545 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ HSPA5 P11021 2/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 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
SCHEMBL16736834 0.89 TYR (0.47) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL16736796 0.85 ALOX15 (0.48) ALOX15MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL27482806 0.81 HMGCR (0.46) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL16736885 0.80 ALOX15 (0.48) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL18176656 0.80 HMGCR (0.41) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL16736854 0.80 HMGCR (0.44) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL16736747 0.80 HMGCR (0.44) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL16736920 0.78 HMGCR (0.53) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL9765959 0.78 CYP2C9 (0.46) HMGCRALOX15MAPTKDM4EALDH1A1
SCHEMBL23542356 0.78 ALDH1A1 (0.59) ALOX15MAPTKDM4EALDH1A1SMN1; SMN2

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 1851/4885MAPT 259/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885ALOX15 1851/4885MAPT 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.

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