SCHEMBL17070320

SCHEMBL17070320

CC(C)SCCCC(=O)NCCP(=O)(O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LPAR2 Q9HBW0 2/20 0.35
ENPP2 Q13822 1/20 0.35
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
FAAH O00519 3/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
CASP2 P42575 1/20 0.31
CNR1 P21554 1/20 0.31
HPGD P15428 1/20 0.31
DNM1 Q05193 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20420476 0.78 LMNA (0.51) TSHRALDH1A1LMNAPKMCNR1
SCHEMBL22015537 0.78 CASP2 (0.50) FAAHCASP2CNR1HPGDDNM1
SCHEMBL17229451 0.76 ALDH1A1 (0.42) TSHRALDH1A1LMNAPKMFAAH
SCHEMBL22015478 0.75 ALDH1A1 (0.41) TSHRALDH1A1LPAR2LMNAPKM
SCHEMBL17070318 0.73 ALDH1A1 (0.35) TSHRALDH1A1LMNAPKMFAAH
SCHEMBL18911293 0.72 HDAC3 (0.35)
SCHEMBL20022932 0.71 LMNA (0.44) LPAR1TSHRALDH1A1LMNAPKM
SCHEMBL19262105 0.70 NOD1 (0.49)
SCHEMBL21478093 0.68 ALDH1A1 (0.43) TSHRALDH1A1LMNAPKMFAAH
SCHEMBL24535370 0.68 CASP2 (0.42) TSHRALDH1A1FAAHCASP2HPGD

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-20170152274-A1 CHARGED LINKERS AND THEIR USES FOR CONJUGATION HANGZHOU DAC BIOTECH CO., LTD. (CN) 2017-06-01 US disclosed
US-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2015-09-10 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-20170152274-A1 CHARGED LINKERS AND THEIR USES FOR CONJUGATION PHOSPHO1, PCTP, CD2BP2 LPAR1 249/4885TSHR 1807/4885ALDH1A1 4122/4885
US-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES CD44, EPCAM, ABCG2 LPAR1 1833/4885TSHR 2204/4885ALDH1A1 1784/4885

“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.