Sugi Predict

Sugi Predict / Compounds / SCHEMBL6117604

SCHEMBL6117604

SCHEMBL6117604

OB(O)c1cccc2cc3c(ccc4ccccc43)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ CYP1A2 P05177 5/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CYP2A6 P11509 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ HPRT1 P00492 1/20 0.43
▸ FYN P06241 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ AHR P35869 2/20 0.41
▸ ERBB2 P04626 1/20 0.41

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
SCHEMBL8781212 0.94 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL28715754 0.89 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL1234259 0.89 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL29243114 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL829841 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL1871616 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL31419512 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL1813260 0.84 HPRT1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL1527437 0.84 HPRT1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL29709279 0.84 HPRT1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666806-B2 Formulations for the production of electronic devices MERCK PATENT GMBH (DE) 2017-05-30 — — US disclosed
US-9666806-B2 Formulations for the production of electronic devices MERCK PATENT GMBH (DE) 2017-05-30 — — US disclosed
EP-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
US-20170125686-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2017-05-04 — — US disclosed
US-20170125676-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-04 — — US disclosed
US-20170125686-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2017-05-04 — — US disclosed
US-20170125676-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-04 — — US disclosed
US-9517977-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-12-13 — — US disclosed
US-9517977-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-12-13 — — US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 — — US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 — — US disclosed
WO-2011137922-A1 FORMULATIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — WO disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 — — WO disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 — — WO disclosed
WO-2011050888-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-05 — — WO disclosed
WO-2011032686-A1 FORMULAS FOR PRODUCING ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-03-24 — — WO disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 — — WO disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 — — US disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 — — 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 (4 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 ALDH1A1 26/4885HSD17B10 936/4885CYP1B1 36/4885
US-20170125676-A1 FORMULATIONS FOR THE PRODUCTION OF ELECTRONIC DEVICES NR3C2, KCNE1, NR2E1 ALDH1A1 1727/4885HSD17B10 529/4885CYP1B1 226/4885
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 ALDH1A1 507/4885HSD17B10 1679/4885CYP1B1 1055/4885
US-20170125686-A1 Materials for Electronic Devices SDHA, SDHB, DDT ALDH1A1 112/4885HSD17B10 994/4885CYP1B1 147/4885

“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.