SCHEMBL15908323

SCHEMBL15908323

C=CCC1(O)c2ccccc2Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
LMNA P02545 1/20 0.38
HTR2C P28335 3/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
TSHR P16473 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH1 P35367 3/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL10952661 0.89 LMNA (0.49) HTR2ALMNASIGMAR1TSHRADRA1D
SCHEMBL10882868 0.80 CCR1 (0.34) HTR2ALMNAHTR2CDRD2SLC6A2
SCHEMBL22678704 0.79 PDK2 (0.42) ALDH1A1
SCHEMBL11523571 0.76 LMNA (0.42) LMNASLC6A2SLC6A4SIGMAR1
SCHEMBL14707057 0.74 KMT2A (0.36) HTR2CSLC6A2ALDH1A1MAPT
SCHEMBL7039204 0.74 CHRM3 (0.36) ALDH1A1
SCHEMBL14659945 0.74 ADRA1D (0.38) SIGMAR1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21246111 0.73 PDK2 (0.37)
SCHEMBL11480489 0.73 ALPL (0.41) TSHRADRA1DADRA1AADRA1BKCNH2
SCHEMBL19130507 0.71 SIGMAR1 (0.41) HTR2ALMNASIGMAR1TSHRALDH1A1

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-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 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-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 HTR2A 1110/4885LMNA 4094/4885HTR2C 1574/4885

“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.