SCHEMBL9966876

SCHEMBL9966876

CCC(C)c1ccc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRMT6 Q96LA8 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TP53 P04637 1/20 0.32
DAO P14920 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL12310756 1.00 ALOX5 (0.42) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL14012089 0.86 ALDH1A1 (0.34) ALOX5ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL13978600 0.85 TSHR (0.39) ALDH1A1HPGDCYP2C9TSHRSMN1; SMN2
SCHEMBL17149563 0.84 ALOX5 (0.38) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL5264377 0.80 ALOX5 (0.44) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL13369376 0.80 ALOX5 (0.41) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL22931231 0.79 ALOX5 (0.38) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL14035043 0.79 ALOX5 (0.39) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL18677511 0.79 TSHR (0.35) ALDH1A1HPGDTSHRSMN1; SMN2TP53
SCHEMBL12260256 0.78 ALOX5 (0.40) ALOX5ALDH1A1HPGDKMT2ALMNA

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
WO-2022115477-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2022-06-02 WO disclosed
WO-2012080520-A1 ENVIRONMENTAL ANTI-CORROSION ADDITIVES BASED ON POLY(ALKYL THIOPHENE ACETATES) WHICH CAN BE EASILY DISPERSED IN PRIMING PAINTS FOR METAL SURFACES UNIVERSITAT POLITÈCNICA DE CATALUNYA (ES) 2012-06-21 WO disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 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-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ALOX5 428/4885ALDH1A1 1019/4885HPGD 200/4885

“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.