SCHEMBL16440144

SCHEMBL16440144

COc1cc(C)ccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LGMN Q99538 1/20 0.42
POLB P06746 3/20 0.42
ALDH1A3 P47895 1/20 0.40
HTT P42858 1/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL16305337 0.84 LGMN (0.47) ALDH1A1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL25515887 0.84 HTR3E (0.46) ALDH1A1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL16437256 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL14804169 0.81 LGMN (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL16440143 0.81 SLC6A2 (0.39) ALDH1A1KMT2ASMN1; SMN2GAAALDH1A3
SCHEMBL12385978 0.80 POLB (0.48) ALDH1A1SMN1; SMN2MAPTHPGDPOLB
SCHEMBL16440158 0.79 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL24880834 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL16305345 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL24123772 0.78 MCOLN3 (0.43) ALDH1A1KMT2ASMN1; SMN2TSHRMAPT

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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4200/4885KMT2A 850/4885SMN1; SMN2 3200/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885KMT2A 930/4885SMN1; SMN2 3271/4885

“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.