SCHEMBL16736698

SCHEMBL16736698

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR2 P25025 1/20 0.30
COMT P21964 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL16736892 0.86 LMNA (0.47) PDE2ALMNAP2RX7AKR1C3AKR1C2
SCHEMBL18272127 0.84 ALOX15 (0.32) SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL16736904 0.81 PDE2A (0.38) PDE2AAKR1C3AKR1C2SMN1; SMN2KDM4E
SCHEMBL16736919 0.81 LMNA (0.42) PDE2ALMNAKDM4EALDH1A1ALOX15
SCHEMBL16736770 0.79 ADRB2 (0.33) P2RX7ALOX15ALOX12
SCHEMBL18271887 0.74 ACHE (0.34) LMNAKDM4EALDH1A1ALOX15ALOX12
SCHEMBL15256022 0.72 LMNA (0.47) LMNASMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL18272130 0.72 LMNA (0.38) LMNASMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL18272145 0.71 ALOX15 (0.36) PDE2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL22723651 0.71 LMNA (0.32) LMNAALOX15

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 6 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
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

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 PDE2A 2920/4885LMNA 2070/4885P2RX7 1564/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR PDE2A 2920/4885LMNA 2070/4885P2RX7 1564/4885

“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.