Sugi Predict

Sugi Predict / Compounds / SCHEMBL8986307

SCHEMBL8986307

SCHEMBL8986307

Cc1ccc(C(O)c2ccc(C(c3ccccc3)c3ccc(C)[nH]3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.40
▸ LMNA P02545 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B2 P37059 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10073877 0.94 MLKL (0.44) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL13814969 0.94 MLKL (0.44) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL439140 0.87 MLKL (0.41) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL14282583 0.85 MLKL (0.40) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL10073878 0.78 ACP3 (0.46) CYP2D6CYP2C19KMT2AHSD17B2TSHR
SCHEMBL8986306 0.75 AKR1C3 (0.40) LMNAKMT2AMEN1MAPT
SCHEMBL12997361 0.73 HMBS (0.33) KMT2A
SCHEMBL477385 0.73 LMNA (0.50) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL477533 0.73 LMNA (0.50) MLKLLMNACYP3A4CYP2D6CYP2C19
SCHEMBL477590 0.73 LMNA (0.50) MLKLLMNACYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304561-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-11-06 — — US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 — — US disclosed
US-8188298-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 — — US disclosed
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-15 — — US disclosed
US-7994312-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-08-09 — — US disclosed
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-26 — — 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 (3 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-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MLKL 3635/4885LMNA 4635/4885CYP3A4 623/4885
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MLKL 3635/4885LMNA 4635/4885CYP3A4 623/4885
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MLKL 3635/4885LMNA 4635/4885CYP3A4 623/4885

“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.