SCHEMBL18253159

SCHEMBL18253159

Cc1cnc(-c2ccc3c4c(cccc24)CC3)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ GAA P10253 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ POLB P06746 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL18255985 0.82 CYP11B1 (0.46) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL27989412 0.76 CYP11B1 (0.48) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL28813898 0.76 CYP11B1 (0.48) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL5748568 0.74 HSP90AA1 (0.79) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL16805021 0.73 KDM4E (0.45) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL22858179 0.69 FEN1 (0.40) HSP90AA1KDM4EMAPTMEN1KMT2A
SCHEMBL5372884 0.68 TYMS (0.65) CYP11B1CYP11B2ALDH1A1KDM4EHPGD
SCHEMBL27986678 0.68 CYP11B1 (0.46) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL27980810 0.68 AR (0.46) CYP11B1CYP11B2HSP90AA1ALDH1A1KDM4E
SCHEMBL5373063 0.67 CYP11B1 (0.65) CYP11B1CYP11B2ALDH1A1KDM4EHPGD

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-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 — — US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 — — US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 — — 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-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP11B1 3427/4885CYP11B2 3277/4885HSP90AA1 3316/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP11B1 3420/4885CYP11B2 3231/4885HSP90AA1 2821/4885

“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.

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