SCHEMBL3720155

SCHEMBL3720155

Cc1cc(OCC(C)C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
ADRB1 P08588 1/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
PDK2 Q15119 1/20 0.41
MAOA P21397 1/20 0.41
XDH P47989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL4229113 0.85 ADRB2 (0.46) ADRB2ADRB1KMT2ASMN1; SMN2POLB
SCHEMBL1083387 0.85 ADRB2 (0.61) ADRB2ADRB1KMT2AESR1TP53
SCHEMBL17676669 0.84 KMT2A (0.43) ADRB2ADRB1KMT2ASMN1; SMN2ESR1
SCHEMBL28221888 0.83 ADRB2 (0.47) ADRB2ADRB1KMT2ASMN1; SMN2TP53
SCHEMBL10642388 0.83 SCN4A (0.50) ADRB2ADRB1KMT2ASMN1; SMN2ESR1
SCHEMBL8483862 0.82 TDP1 (0.47) KMT2ASMN1; SMN2ESR1ESR2TP53
SCHEMBL339174 0.81 PDK2 (0.50) ADRB2ADRB1KMT2APOLBKDM4E
SCHEMBL11284091 0.80 ADRB2 (0.43) ADRB2ADRB1KMT2ASMN1; SMN2ESR1
SCHEMBL3720786 0.80 ADRB2 (0.45) ADRB2ADRB1KMT2ASMN1; SMN2TDP1
SCHEMBL3721637 0.80 ADRB2 (0.45) ADRB2ADRB1ESR1POLBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO 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-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ADRB2 1644/4885ADRB1 1076/4885KMT2A 1744/4885

“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.