SCHEMBL21516636

SCHEMBL21516636

Cc1cc(C)c(Cl)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.42
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 4/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10412021 0.79 SMN1; SMN2 (0.54) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL22289594 0.79 CYP3A4 (0.40) ALDH1A1MAPK1SMN1; SMN2CYP3A4CHRM1
SCHEMBL28251597 0.79 LMNA (0.42) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL31576176 0.77 CYP3A4 (0.39) ALDH1A1MAPK1SMN1; SMN2CYP3A4CHRM1
SCHEMBL21606931 0.75 KMT2A (0.39) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL21287461 0.75 NOS2 (0.44) ALDH1A1CYP3A4CHRM1ALOX15MAOA
SCHEMBL9215459 0.75 LMNA (0.35) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL9215463 0.75 NR4A2 (0.48) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL10774397 0.75 KDM4E (0.50) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL29721960 0.75 NOS2 (0.44) ALDH1A1CYP3A4CHRM1ALOX15MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 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-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 ALDH1A1 2758/4885MAPK1 838/4885SMN1; SMN2 2944/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 ALDH1A1 2758/4885MAPK1 838/4885SMN1; SMN2 2944/4885

“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.