SCHEMBL19430482

SCHEMBL19430482

CC(CCc1ccc(Cl)cc1)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 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
SCHEMBL6156748 0.81 ESR1 (0.48) KCNH2TMEM97SLC6A2SLC6A3TAAR1
SCHEMBL6056925 0.81 TSHR (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL21523212 0.78
SCHEMBL16250318 0.77 HTR3E (0.44) KCNH2TMEM97SLC6A2SLC6A3TAAR1
SCHEMBL2127822 0.77 TAAR1 (0.54) KCNH2TMEM97SLC6A2SLC6A3TAAR1
SCHEMBL436099 0.76 AOC3 (0.52) KCNH2TMEM97SLC6A2SLC6A3TAAR1
SCHEMBL6056963 0.75 GRIN2D (0.38) TMEM97SLC6A2SLC6A3HTR2AHTR2B
Ammonia Solution, Strong SCHEMBL10725614 0.74 AOC3 (0.50) KCNH2TMEM97SLC6A2SLC6A3TAAR1
SCHEMBL8507908 0.73 IGF1R (0.40) KCNH2TAAR1HRH1GAACYP1A2
SCHEMBL21175025 0.72 TAAR1 (0.47) KCNH2TMEM97SLC6A2SLC6A3TAAR1

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-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2023-04-27 US disclosed
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 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-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 KCNH2 4715/4885TMEM97 4234/4885SLC6A2 4641/4885
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 KCNH2 4715/4885TMEM97 4234/4885SLC6A2 4641/4885

“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.