SCHEMBL6738625

SCHEMBL6738625

CCCCOC(=O)C(C)CC[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 4/20 0.42
HPGD P15428 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
CA1 P00915 3/20 0.39
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL16826935 0.90 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6740311 0.88 ALDH1A1 (0.37) ALDH1A1TSHRHCAR2CA1TDP1
SCHEMBL5458029 0.88 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6234940 0.88 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL18859460 0.88 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1471817 0.88 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL17860718 0.86 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2529449 0.86 CA1 (0.42) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL7219469 0.86 CA1 (0.55) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2530893 0.85 CA1 (0.41) ALDH1A1ATMTSHRHCAR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (4 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 ALDH1A1 142/4885ATM 3118/4885TSHR 762/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885ATM 3813/4885TSHR 1003/4885
US-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 ALDH1A1 2640/4885ATM 1886/4885TSHR 1530/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885ATM 3103/4885TSHR 706/4885

“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.