Sugi Predict

Sugi Predict / Compounds / SCHEMBL12014697

SCHEMBL12014697

SCHEMBL12014697

c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4ccc5ccc6ccccc6c5c4)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4ccc5ccc6ccccc6c5c4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ HPRT1 P00492 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL12014691 0.96 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL13303968 0.94 CYP1B1 (0.37) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL12014704 0.94 CYP1B1 (0.37) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL13304038 0.93 CYP1B1 (0.38) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL14099790 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL13405626 0.93 GPR84 (0.36) ALDH1A1CYP1B1TDP1CYP1A1ALOX5
SCHEMBL12014695 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL13007071 0.91 ACMSD (0.36) ALDH1A1HSD17B10CYP1B1HIF1ATDP1
SCHEMBL8406128 0.91 GPR84 (0.37) ALDH1A1HSD17B10CYP1B1TDP1CYP1A1
SCHEMBL12928339 0.91 GPR84 (0.37) ALDH1A1HSD17B10CYP1B1TDP1CYP1A1

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-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US 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

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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 ALDH1A1 261/4885HSD17B10 3445/4885CYP1B1 417/4885

“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.