Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604041

SCHEMBL9604041

SCHEMBL9604041

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc5nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)oc45)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ GGPS1 O95749 1/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ NPC1 O15118 5/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL9604040 0.94 ALOX5 (0.47) ALOX5ESR1ESR2DHODHGGPS1
SCHEMBL9603975 0.90 ALOX5 (0.46) ALOX5NPC1KDM4EALDH1A1HPGD
SCHEMBL18086161 0.88 ALOX5 (0.54) ALOX5ESR1ESR2GGPS1PRKDC
SCHEMBL15469254 0.87 ALOX5 (0.44) ALOX5GGPS1PRKDCNPC1KDM4E
SCHEMBL20277499 0.86 ALOX5 (0.57) ALOX5GGPS1PRKDCKDM4EHPGD
SCHEMBL9604037 0.86 ALOX5 (0.46) ALOX5ESR1ESR2DHODHGGPS1
SCHEMBL9603979 0.85 ALOX5 (0.47) ALOX5NPC1KDM4EALDH1A1HPGD
SCHEMBL18086151 0.85 ALOX5 (0.51) ALOX5GGPS1PRKDCKDM4ESMN1; SMN2
SCHEMBL4549434 0.84 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2ATM
SCHEMBL8281382 0.83 ALOX5 (0.47) ALOX5GGPS1PRKDCNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 — — US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 — — US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 — — US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 — — 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 (1 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 ALOX5 720/4885ESR1 99/4885ESR2 214/4885

“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.