SCHEMBL1259129

SCHEMBL1259129

Cc1cc(CC(=O)O)c(C)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
PTGS1 P23219 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SRC P12931 1/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS2 P35354 2/20 0.39
AGBL2 Q5U5Z8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL30990555 1.00 ALOX15 (0.49) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
Phosphine SCHEMBL28245494 0.98 ALOX15 (0.47) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL28842319 0.98 ALOX15 (0.47) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
SCHEMBL1259128 0.83 NPSR1 (0.42) ALOX15PTGS1NPSR1SMN1; SMN2
SCHEMBL25949691 0.83 CYP3A4 (0.42) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
SCHEMBL11325941 0.81 NPSR1 (0.60) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
SCHEMBL13343478 0.81 HTT (0.42) ALOX15PTGS1NPSR1MAPT
SCHEMBL7941957 0.81 AKR1B1 (0.47) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
SCHEMBL1257785 0.81 HPGD (0.53) ALOX15PTGS1NPSR1SMN1; SMN2MAPT
SCHEMBL25949658 0.80 PTGS1 (0.42) ALOX15PTGS1NPSR1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242471-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20120142988-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
WO-2011016581-A1 METHOD OF PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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 (3 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-20120142988-A1 METHOD OF PRODUCING 1-HEXENE HRH1, HK1, HMOX1 ALOX15 1484/4885PTGS1 270/4885NPSR1 3575/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 ALOX15 2954/4885PTGS1 226/4885NPSR1 3399/4885
US-20230242471-A1 THYROMIMETICS TPO, THOP1, THRB ALOX15 534/4885PTGS1 367/4885NPSR1 757/4885

“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.