SCHEMBL16736892

SCHEMBL16736892

CC(C)c1cc(O)c(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
PDE2A O00408 2/20 0.42
GABRA1 P14867 5/20 0.39
GABRB1 P18505 3/20 0.39
PTGS2 P35354 1/20 0.37
P2RX7 Q99572 1/20 0.35
GABRB2 P47870 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16736698 0.86 PDE2A (0.40) LMNAPDE2AP2RX7KDM4EAKR1C3
SCHEMBL16736751 0.83 ALOX15 (0.52) LMNAGABRA1GABRB1GABRB2CA1
SCHEMBL18272130 0.82 LMNA (0.38) LMNAGABRA1GABRB1GABRB2CA1
SCHEMBL15256022 0.82 LMNA (0.47) LMNAGABRA1GABRB1GABRB2CA1
SCHEMBL24985319 0.79 PDE2A (0.40) LMNAPDE2AGABRA1GABRB1PTGS2
SCHEMBL16736793 0.79 PDE2A (0.40) LMNAPDE2AGABRA1GABRB2CA1
SCHEMBL24868586 0.79 PDE2A (0.42) LMNAPDE2AGABRA1GABRB1PTGS2
SCHEMBL12303919 0.79 PDE2A (0.42) LMNAPDE2AGABRA1GABRB1PTGS2
SCHEMBL24986401 0.78 PDE2A (0.39) LMNAPDE2AGABRA1GABRB1PTGS2
SCHEMBL24946314 0.78 LMNA (0.56) LMNAPDE2AGABRA1GABRB1P2RX7

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 5 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-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-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 2070/4885PDE2A 2920/4885GABRA1 201/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR LMNA 2070/4885PDE2A 2920/4885GABRA1 201/4885

“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.