SCHEMBL22316515

SCHEMBL22316515

CCCCCCC(C)(C)OCc1ccc(NC(C)(CCC)CCCC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.34
MBOAT4 Q96T53 1/20 0.32
TLR8 Q9NR97 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ESR1 P03372 2/20 0.30
ADRA2A P08913 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
TACR2 P21452 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SHBG P04278 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSPD1 P10809 1/20 0.30
ADRB3 P13945 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL25070756 0.88 SPHK2 (0.33) SPHK2MBOAT4TLR8SPHK1ESR1
SCHEMBL20801346 0.76 ALDH1A1 (0.43) MBOAT4KDM4EALDH1A1CYP3A4
SCHEMBL23819890 0.75 GAA (0.44) TLR8ALDH1A1
SCHEMBL21653412 0.74 MBOAT4 (0.37) MBOAT4SPHK1ENPP2DGAT2
SCHEMBL19829244 0.72 CETP (0.41) ALDH1A1TP53CYP3A4
SCHEMBL23633882 0.72 GAA (0.46) TLR8ALDH1A1
SCHEMBL25857253 0.72 GAA (0.46) TLR8ALDH1A1
SCHEMBL20716198 0.71 CNR2 (0.39) TLR8
SCHEMBL21790580 0.69 NAAA (0.41) TLR8ALDH1A1LMNACYP3A4
SCHEMBL22031207 0.69 KMT2A (0.32) ESR1ALDH1A1HSD17B10

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-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA SPHK2 4822/4885MBOAT4 1352/4885TLR8 3248/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA SPHK2 4822/4885MBOAT4 1352/4885TLR8 3248/4885

“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.