Sugi Predict

Sugi Predict / Compounds / SCHEMBL12601255

SCHEMBL12601255

SCHEMBL12601255

Cc1ccc(-c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1-c1c(C)ccc(-c2ccccc2)c1P(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ESR2 Q92731 3/20 0.39
▸ CYP2A6 P11509 2/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ PSMB5 P28074 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ CA12 O43570 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
SCHEMBL12601269 0.93 ESR2 (0.35) CYP3A4TDP1ESR2CYP2A6CYP2B6
SCHEMBL2007683 0.82 CYP3A4 (0.48) CYP3A4TDP1ESR2ALDH1A1TSHR
SCHEMBL28294523 0.79 CYP3A4 (0.41) CYP3A4TDP1ESR2CYP2A6CYP2B6
SCHEMBL12649706 0.77 MAPT (0.41) CYP3A4TDP1CYP2A6CYP2B6ALDH1A1
SCHEMBL21333875 0.76 TDP1 (0.50) CYP3A4TDP1ESR2CYP2A6ALDH1A1
SCHEMBL21348875 0.75 CYP3A4 (0.44) CYP3A4TDP1ESR2CYP2A6CYP2B6
SCHEMBL21333867 0.73 MYC (0.47) CYP3A4TDP1ESR2TSHRCA12
SCHEMBL11573641 0.71 ESR2 (0.47) CYP3A4ESR2CYP2A6CYP2B6ALDH1A1
SCHEMBL14604150 0.70 CYP3A4 (0.39) CYP3A4TDP1ESR2CYP2A6CYP2B6
SCHEMBL6012664 0.70 CYP3A4 (0.35) CYP3A4TDP1ALDH1A1L3MBTL1NPC1

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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 — — US disclosed
US-8957222-B2 Process for preparing intermediates of peripherally-selective inhibitors of dopamine-β-hydroxylase involving catalytic asymmetric hydrogenation BIAL-PORTELA & CA, S.A. (PT) 2015-02-17 — — US disclosed
US-20110112303-A1 Process BIAL - PORTELA & CA, S.A. (PT) 2011-05-12 — — 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY CYP3A4 1057/4885TDP1 4780/4885ESR2 1433/4885
US-20110112303-A1 Process AHR, CYP1A1, SIGMAR1 CYP3A4 40/4885TDP1 4758/4885ESR2 366/4885

“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.