SCHEMBL18488258

SCHEMBL18488258

Cc1ccc(CCCCSCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
BLM P54132 1/20 0.49
FFAR1 O14842 2/20 0.45
ALDH1A1 P00352 3/20 0.45
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13870214 0.88 MMP12 (0.67) MMP12MMP13TSHRSMN1; SMN2TP53
SCHEMBL709703 0.84 MMP12 (0.67) MMP12MMP13TSHRSMN1; SMN2CYP2C9
SCHEMBL29308029 0.83 MMP12 (0.65) MMP12MMP13SMN1; SMN2CYP2C9HSD17B10
SCHEMBL18472594 0.83 MMP12 (0.49) MMP12MMP13TSHRSMN1; SMN2CYP2C9
SCHEMBL29281812 0.82 IGF1R (0.52) HSD17B10TP53ALDH1A1IGF1RALOX15
SCHEMBL5025501 0.79 MMP12 (0.69) MMP12MMP13TSHRSMN1; SMN2CYP2C9
SCHEMBL10647750 0.78 S1PR1 (0.58) TSHRMAPTALDH1A1KMT2A
SCHEMBL10650787 0.77 CYSLTR2 (0.57) MAPTALDH1A1KMT2A
SCHEMBL7820486 0.77 ALDH1A1 (0.72) TSHRHSD17B10FFAR1ALDH1A1IGF1R
SCHEMBL8332405 0.77 HTT (0.61) CYP2C9TP53POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE FUJIFILM CORPORATION (JP) 2017-02-09 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-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE TAS2R39, TAS1R1, TAS1R2 MMP12 2769/4885MMP13 3471/4885TSHR 1901/4885

“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.