SCHEMBL1767640

SCHEMBL1767640

CCCCCn1ccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
TLR8 Q9NR97 3/20 0.40
HTT P42858 6/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
SMPD1 P17405 4/20 0.37
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PABPC1 P11940 1/20 0.36
POLB P06746 4/20 0.36
GALR3 O60755 2/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL16592112 0.98 LMNA (0.40) LMNATLR8HTTKDM4ESMN1; SMN2
SCHEMBL24309186 0.98 LMNA (0.40) LMNATLR8HTTKDM4ESMN1; SMN2
SCHEMBL21210598 0.98 LMNA (0.40) LMNATLR8HTTKDM4ESMN1; SMN2
SCHEMBL13270149 0.95 LMNA (0.41) LMNATLR8HTTKDM4ESMN1; SMN2
SCHEMBL15417666 0.87 LMNA (0.43) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL10569844 0.84 CNR1 (0.40) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL13249108 0.81 POLB (0.38) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL31010218 0.80 IRAK4 (0.43) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL950089 0.80 LMNA (0.45) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL5632040 0.77 POLB (0.39) LMNAHTTKDM4ESMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
CN-102977027-A Preparation method of 5-aryl-3-trifluoromethyl-1H-pyrazole compound UNIV TIANJIN 2013-03-20 CN disclosed
EP-2501407-A1 ANTI-ORAI1 ANTIGEN BINDING PROTEINS AND USES THEREOF Amgen Inc. (US) 2012-09-26 EP disclosed
US-20120231006-A1 ANTI-ORAI1 ANTIGEN BINDING PROTEINS AND USES THEREOF AMGEN INC. (US) 2012-09-13 US disclosed
WO-2011063277-A1 ANTI-ORAI1 ANTIGEN BINDING PROTEINS AND USES THEREOF AMGEN INC. (US) 2011-05-26 WO 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 (3 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-20120231006-A1 ANTI-ORAI1 ANTIGEN BINDING PROTEINS AND USES THEREOF STIM2, ORAI2, STIM1 LMNA 2498/4885TLR8 3025/4885HTT 3840/4885
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 LMNA 4259/4885TLR8 2805/4885HTT 1595/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 LMNA 4259/4885TLR8 2805/4885HTT 1595/4885

“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.