SCHEMBL16736716

SCHEMBL16736716

Cc1cc(Cl)c(C(C)C(F)F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 3/20 0.35
ALOX15 P16050 3/20 0.34
ALOX12 P18054 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL16736866 0.85 LMNA (0.46) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL29369045 0.80 LMNA (0.59) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL1443139 0.80 LMNA (0.59) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL16736871 0.79 ADRB2 (0.38) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL16736610 0.78 ACHE (0.35) LMNACYP3A4CYP1A2CYP2C19ACHE
SCHEMBL16736907 0.76 LMNA (0.42) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL16736919 0.76 LMNA (0.42) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL18271888 0.75 ACHE (0.33) LMNACYP3A4CYP1A2CYP2C19ACHE
SCHEMBL16736869 0.74 LMNA (0.39) LMNACYP3A4CYP1A2CYP2C19TDP1
SCHEMBL16736901 0.74 TSHR (0.46) LMNACYP3A4CYP1A2CYP2C19TDP1

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 2070/4885CYP3A4 42/4885CYP1A2 35/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR LMNA 2070/4885CYP3A4 42/4885CYP1A2 35/4885

“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.