SCHEMBL2161190

SCHEMBL2161190

CCc1cccc2c(C(CCC(=O)O)c3ccc(C(F)(F)F)cc3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 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
SCHEMBL1423530 0.89 ALDH1A1 (0.40) ALDH1A1LMNAHTTUBE2NMEN1
SCHEMBL1423438 0.87 ALDH1A1 (0.39) ALDH1A1LMNAHTTUBE2NHDAC3
SCHEMBL2162340 0.84 ALDH1A1 (0.36) ALDH1A1LMNAHTTUBE2NHDAC3
SCHEMBL1422927 0.83 ALDH1A1 (0.35) ALDH1A1LMNAHTTUBE2NHDAC3
SCHEMBL1423412 0.82 KDM4E (0.42) ALDH1A1LMNAHTTUBE2NMEN1
SCHEMBL2161725 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHTTUBE2NHDAC3
SCHEMBL1349866 0.80 CYP19A1 (0.34) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL2071174 0.79 UBE2N (0.50) ALDH1A1LMNAHTTUBE2NHDAC3
SCHEMBL7948488 0.79 PNP (0.40) ALDH1A1LMNAHTTUBE2NMEN1
SCHEMBL1350710 0.77 KDM4E (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 ALDH1A1 813/4885LMNA 520/4885HTT 254/4885

“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.