SCHEMBL3757525

SCHEMBL3757525

[CH2]Oc1ccc(Cl)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HTT P42858 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SENP2 Q9HC62 1/20 0.39

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
SCHEMBL3755105 0.82 CYP3A4 (0.46) MCL1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL6564428 0.81 KDM4E (0.56) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL130126 0.79 MCL1 (0.52) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL1145315 0.78 HSP90AA1 (0.48) KMT2ASMN1; SMN2KDM4EMEN1HTR2A
SCHEMBL3033134 0.78 TDP1 (0.45) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL11087092 0.77 KMT2A (0.50) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL882328 0.77 MCL1 (0.50) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL11348622 0.77 MCL1 (0.59) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL11424324 0.76 MCL1 (0.49) MCL1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL177406 0.76 MCL1 (0.49) MCL1KMT2ASMN1; SMN2KDM4EPOLB

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT MCL1 535/4885KMT2A 2712/4885SMN1; SMN2 3614/4885

“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.