SCHEMBL22000860

SCHEMBL22000860

Cc1ccc2c3ccc(C)cc3c3nsnc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPKAPK3 Q16644 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33

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
SCHEMBL23665468 0.75 LMNA (0.36) MAPTMEN1KMT2ALMNATSHR
SCHEMBL13330657 0.74 CCR1 (0.50) MAOAMEN1KMT2ACYP1A2CYP2A6
SCHEMBL8840917 0.74 CYP1A2 (0.50) MAPTLMNACYP1A2CYP2A6KDM4E
SCHEMBL3873030 0.74 CYP1A2 (0.50) MAPTLMNACYP1A2CYP2A6KDM4E
SCHEMBL15249167 0.73 MEN1 (0.39) MAPTMEN1KMT2ALMNATSHR
SCHEMBL22819025 0.70 NPC1 (0.34) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14344514 0.70 NQO2 (0.45) MAOAMAPTMEN1KMT2ALMNA
SCHEMBL13330658 0.70 NQO2 (0.57) MAOAMAPTMEN1KMT2ALMNA
SCHEMBL20193202 0.68 NPC1 (0.47) MAOAMAPTMEN1KMT2AKDM4E
SCHEMBL9921575 0.67 KIF11 (0.45) MEN1KMT2AALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200152395-A1 LAYERED HYBRID ORGANIC-INORGANIC PEROVSKITE MATERIALS UNIVERSITEIT HASSELT (BE) 2020-05-14 — — 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 (1 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-20200152395-A1 LAYERED HYBRID ORGANIC-INORGANIC PEROVSKITE MATERIALS NCL, KCNN4, SLC9A3 MAOA 3118/4885MAPT 2387/4885MEN1 402/4885

“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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