SCHEMBL23801993

SCHEMBL23801993

COCC1(c2ccc(OC)c(C=O)c2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.39
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
P2RX7 Q99572 1/20 0.37
GAA P10253 3/20 0.37
CASP1 P29466 2/20 0.37
TUBB1 Q9H4B7 1/20 0.37
KCNA3 P22001 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10320513 0.81 ALDH1A1 (0.41) KMT2ATDP1HTTLMNAHPGD
SCHEMBL31525253 0.80 HTT (0.46) KMT2ATDP1HTTALOX5LMNA
SCHEMBL20379847 0.80 LMNA (0.43) KMT2ATDP1ALOX5LMNAHPGD
SCHEMBL31525277 0.78 PKM (0.42) KMT2ATDP1HTTALOX5LMNA
SCHEMBL31525294 0.78 KMT2A (0.41) KMT2ATDP1HTTALOX5LMNA
SCHEMBL7586503 0.77 PDE4B (0.44) KMT2ATDP1LMNAHPGDALDH1A1
SCHEMBL23801961 0.76 KMT2A (0.40) KMT2ATDP1HTTALOX5ALDH1A1
SCHEMBL11185676 0.72 ALDH1A1 (0.43) KMT2ATDP1HTTLMNAHPGD
SCHEMBL24635508 0.72 ALDH1A1 (0.46) TDP1LMNAHPGDALDH1A1TSHR
SCHEMBL194592 0.72 ALDH1A1 (0.46) TDP1LMNAHPGDALDH1A1TSHR

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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 KMT2A 3675/4885TDP1 3320/4885HTT 4808/4885

“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.