SCHEMBL16736742

SCHEMBL16736742

Cc1cc(O)c(C(C)C)cc1OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
PKM P14618 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
MAPK1 P28482 1/20 0.39
G6PD P11413 3/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
ALOX15 P16050 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 6/20 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
SCHEMBL16736875 0.84 LMNA (0.49) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL8999616 0.81 LMNA (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL1494397 0.79 LMNA (0.55) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL25329569 0.79 ALDH1A1 (0.44) LMNAPKMCYP1A2CYP2D6MAPK1
SCHEMBL16736803 0.79 ACHE (0.44) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL16736804 0.78 LMNA (0.53) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28323422 0.78 LMNA (0.53) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28228776 0.76 LMNA (0.52) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL214157 0.74 LMNA (0.68) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29872559 0.74 LMNA (0.68) LMNATRPA1CHRM1SLC6A2ADRA1A

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 LMNA 2070/4885TRPA1 1054/4885CHRM1 453/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR LMNA 2070/4885TRPA1 1054/4885CHRM1 453/4885

“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.