SCHEMBL18853417

SCHEMBL18853417

c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7cc8ccccc8cc7c56)c4)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.40
▸ ADORA1 P30542 6/20 0.40
▸ HPGD P15428 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PLCG2 P16885 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 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
SCHEMBL18853496 0.99 ADORA2A (0.41) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853305 0.99 ADORA2A (0.41) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853465 0.97 ADORA2A (0.40) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853639 0.96 ADORA2A (0.38) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853474 0.95 ADORA2A (0.37) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853358 0.94 ADORA2A (0.38) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853409 0.94 ADORA2A (0.38) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853450 0.93 HPGD (0.40) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853456 0.93 HPGD (0.40) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL18853535 0.93 ADORA2A (0.37) ADORA2AADORA1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10680190-B2 Organic compound, organic optoelectronic element, and display device SAMSUNG SDI CO., LTD. (KR) 2020-06-09 — — US disclosed
US-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO.,LTD. (KR) 2017-05-18 — — US disclosed
US-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO.,LTD. (KR) 2017-05-18 — — 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-20170141331-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD1, OXER1, OCIAD2 ADORA2A 3900/4885ADORA1 1978/4885HPGD 3408/4885
US-10680190-B2 Organic compound, organic optoelectronic element, and display device OCIAD1, OXER1, OCIAD2 ADORA2A 3900/4885ADORA1 1978/4885HPGD 3408/4885

“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.

Send feedback