SCHEMBL18339014

SCHEMBL18339014

FC(F)(F)Oc1cccc(Cc2ncc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.54
MPO P05164 1/20 0.46
DAO P14920 1/20 0.45
BRD4 O60885 1/20 0.44
SLC6A4 P31645 1/20 0.43
KCNN4 O15554 2/20 0.42
GPR52 Q9Y2T5 2/20 0.41
HTR1A P08908 1/20 0.41
CETP P11597 1/20 0.41
AKT2 P31751 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL31414967 0.80 TAAR1 (0.75) TAAR1BRD4HTR1A
SCHEMBL5009648 0.78 DAO (0.55) MPODAOSLC6A4CETPCHRM2
SCHEMBL7417625 0.76 TAAR1 (0.55) TAAR1HTR1A
Hydrochloric Acid SCHEMBL10944343 0.75 TAAR1 (0.54) TAAR1HTR1A
SCHEMBL10719843 0.74 TAAR1 (0.66) TAAR1DAOHTR1A
SCHEMBL27160490 0.73 KCNN3 (0.47) MPODAOSLC6A4KCNN4GPR52
SCHEMBL535567 0.73 TAAR1 (0.64) TAAR1BRD4HTR1ARAB9A
SCHEMBL535040 0.73 TAAR1 (0.64) TAAR1DAOHTR1A
SCHEMBL10463711 0.73 TAAR1 (0.64) TAAR1HTR1A
SCHEMBL3749613 0.73 TAAR1 (0.64) TAAR1DAOHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180301640-A9 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2018-10-18 US disclosed
US-20160380214-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2016-12-29 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-20160380214-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 TAAR1 1667/4885MPO 550/4885DAO 3882/4885
US-20180301640-A9 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, L3MBTL1 TAAR1 1667/4885MPO 550/4885DAO 3882/4885

“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.