SCHEMBL441589

SCHEMBL441589

Cc1ccc(F)cc1C[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 2/20 0.35
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TYR P14679 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NOS2 P35228 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
AKT1 P31749 1/20 0.33
F2RL1 P55085 2/20 0.33
P2RX7 Q99572 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 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
SCHEMBL451846 1.00 SLC6A4 (0.36) SLC6A4HTR2AKCNH2HTR2CTRPA1
SCHEMBL13647174 0.84 SLC6A4 (0.39) SLC6A4HTR2AKCNH2HTR2CTRPA1
SCHEMBL451227 0.82 DPP4 (0.47) DPP4DPP9
SCHEMBL439644 0.82 DPP4 (0.47) DPP4DPP9
SCHEMBL441153 0.81 HTR2A (0.53) HTR2AHTR2C
SCHEMBL20958081 0.81 GABRA1 (0.47) HTR2ATRPA1PTGS2MEN1KMT2A
SCHEMBL438798 0.81 HTR2A (0.53) HTR2AHTR2C
SCHEMBL16986776 0.79 ALOX15 (0.39) HTR2AHTR2CTRPA1MEN1KMT2A
SCHEMBL16986775 0.79 ALOX15 (0.39) SLC6A4HTR2AKCNH2HTR2CTRPA1
SCHEMBL3459241 0.79 ALOX15 (0.39) HTR2AHTR2CTRPA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 SLC6A4 4206/4885HTR2A 4642/4885KCNH2 4373/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 SLC6A4 4206/4885HTR2A 4642/4885KCNH2 4373/4885

“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.