SCHEMBL16736854

SCHEMBL16736854

CCCc1cc(Cl)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
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ATP2A2 P16615 1/20 0.43
▸ ATP2A3 Q93084 1/20 0.43
▸ CYP2C9 P11712 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ HSPA5 P11021 2/20 0.35
▸ ALOX5 P09917 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 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
SCHEMBL16736605 0.90 TYR (0.46) HMGCRALOX15SMN1; SMN2MAPTALDH1A1
SCHEMBL16736913 0.85 SMN1; SMN2 (0.46) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL9008257 0.83 SMN1; SMN2 (0.48) ALOX15SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10639901 0.81 HMGCR (0.53) HMGCRALOX15MAPTTP53HIF1A
SCHEMBL16736755 0.80 HMGCR (0.46) HMGCRALOX15SMN1; SMN2MAPTALDH1A1
SCHEMBL27482806 0.80 HMGCR (0.46) HMGCRALOX15SMN1; SMN2MAPTALDH1A1
SCHEMBL8764455 0.79 HMGCR (0.52) HMGCRALOX15MAPTALDH1A1KDM4E
SCHEMBL16736863 0.79 HMGCR (0.52) HMGCRALOX15MAPTALDH1A1KDM4E
SCHEMBL16736921 0.79 ALOX15 (0.48) HMGCRALOX15SMN1; SMN2MAPTALDH1A1
SCHEMBL16736747 0.79 HMGCR (0.44) HMGCRALOX15SMN1; SMN2MAPTALDH1A1

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 1851/4885SMN1; SMN2 210/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR HMGCR 2432/4885ALOX15 1851/4885SMN1; 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.

Send feedback