SCHEMBL18255985

SCHEMBL18255985

COc1cnc(-c2ccc3c4c(cccc24)CC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 6/20 0.38
▸ HPGD P15428 6/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HSP90AA1 P07900 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
SCHEMBL18253159 0.82 CYP11B1 (0.50) CYP11B1CYP11B2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7077246 0.74 HSP90AA1 (0.55) CYP11B1CYP11B2MEN1KMT2AUSP2
SCHEMBL28813898 0.71 CYP11B1 (0.48) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL27989412 0.71 CYP11B1 (0.48) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL18499935 0.67 KMT2A (0.68) MEN1KMT2AUSP2S100A4ALDH1A1
SCHEMBL16225132 0.65 ALOX5AP (0.48) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL5748568 0.64 HSP90AA1 (0.79) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL27980810 0.64 AR (0.46) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL5373063 0.63 CYP11B1 (0.65) CYP11B1CYP11B2MEN1KMT2AALDH1A1
SCHEMBL10277414 0.63 ALDH1A1 (0.47) CYP11B1CYP11B2MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 — — US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 — — US disclosed
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 (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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP11B1 3420/4885CYP11B2 3231/4885MEN1 3311/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP11B1 3427/4885CYP11B2 3277/4885MEN1 2967/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC CYP11B1 3420/4885CYP11B2 3231/4885MEN1 3311/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP11B1 3420/4885CYP11B2 3231/4885MEN1 3311/4885

“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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