SCHEMBL19660278

SCHEMBL19660278

CC(C)(C)c1ccc(OCc2ccccc2)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.52
▸ MAOA P21397 3/20 0.52
▸ ALOX5 P09917 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ERN1 O75460 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ TOP1 P11387 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL6825691 0.89 MAOB (0.52) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL8327914 0.82 MAOA (0.61) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL16319302 0.81 MAOB (0.56) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL3615463 0.79 MAOB (0.58) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL1128651 0.78 MAOB (0.54) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL31173073 0.78 MAOB (0.54) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL6035502 0.78 TUBB1 (0.72) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL21582167 0.78 MAOB (0.56) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL20767540 0.78 MAOB (0.56) MAOBMAOAALOX5NPC1RAB9A
SCHEMBL3621341 0.78 MAOB (0.56) MAOBMAOAALOX5ERN1POLB

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 4 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

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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAOB 753/4885MAOA 535/4885ALOX5 3097/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC MAOB 753/4885MAOA 535/4885ALOX5 3097/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAOB 753/4885MAOA 535/4885ALOX5 3097/4885

“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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