SCHEMBL549830

SCHEMBL549830

Oc1cc(C23CC4CC(CC(C4)C2)C3)cc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
CNR2 P34972 10/20 0.43
RARB P10826 4/20 0.41
RARA P10276 3/20 0.41
RARG P13631 3/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 3/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL549877 0.90 MEN1 (0.53) MEN1KMT2APOLBGAAGFER
SCHEMBL4673339 0.83 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL31261476 0.82 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL31261477 0.82 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL548550 0.82 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL31261475 0.82 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL31261474 0.82 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL548526 0.82 MEN1 (0.54) MEN1KMT2APOLBGAAGFER
SCHEMBL27199176 0.80 SELL (0.45) MEN1KMT2APOLBGAAGFER
SCHEMBL27199185 0.80 MEN1 (0.56) MEN1KMT2APOLBGAAGFER

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
CN-118724958-A Phosphite bidentate phosphine ligand, synthesis method and application thereof 国家能源集团宁夏煤业有限责任公司 2024-10-01 CN claimed
CN-118724958-A Phosphite bidentate phosphine ligand, synthesis method and application thereof 国家能源集团宁夏煤业有限责任公司 2024-10-01 CN disclosed
US-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2024-04-18 US disclosed
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 EP 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-20240124501-A1 VANADIUM COMPOUNDS AND METHODS OF MAKING AND USING THEREOF ATP6V1B2, MVD, VDAC3 MEN1 510/4885KMT2A 1389/4885POLB 2020/4885
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 MEN1 3412/4885KMT2A 3737/4885POLB 3648/4885

“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.