SCHEMBL20175801

SCHEMBL20175801

CC1CCC(C)(C(C)C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR2A P28223 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CHRM5 P08912 2/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
BCHE P06276 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
PRCP P42785 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL10603757 0.78 OPRM1 (0.43) HTR2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL18293060 0.75 GAA (0.35) HTR2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL12507113 0.75 HTR2A (0.35) MEN1KMT2AHTR2AALDH1A1MAPT
SCHEMBL9518792 0.72 CCR2 (0.40)
SCHEMBL12084638 0.70 HTR2A (0.38) MEN1KMT2AHTR2AALDH1A1MAPT
SCHEMBL17963532 0.69 KDM1A (0.50) HTR2A
SCHEMBL25012060 0.68 PDK2 (0.31) MAPK1
SCHEMBL10886213 0.67 SMN1; SMN2 (0.36) MEN1KMT2AHTR2AMAPTTSHR
SCHEMBL10020773 0.66 DPP4 (0.32) HTR2ASLC6A2SLC6A3
SCHEMBL10000497 0.66

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-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2021-02-02 US disclosed
US-20180142306-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA INC. 2018-05-24 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-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 MEN1 2340/4885KMT2A 2431/4885HTR2A 1282/4885
US-20180142306-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 MEN1 2340/4885KMT2A 2431/4885HTR2A 1282/4885

“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.