SCHEMBL3555645

SCHEMBL3555645

C/C(C(=O)O)=C(/C)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
JAK1 P23458 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.44

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
Hydrochloric Acid SCHEMBL6781734 0.93 CES2 (0.57) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL1553066 0.80 ALDH1A1 (0.69) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL547682 0.79 CES2 (0.69) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL29664937 0.78 CES2 (0.61) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL27658812 0.78 CES2 (0.61) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL1246801 0.78 CES2 (0.61) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL6947709 0.78 CES2 (0.61) CES2CES1HPGDSMN1; SMN2KDM4E
SCHEMBL6781729 0.78 CES2 (0.57) CES2CES1HPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6785520 0.77 CES2 (0.52) CES2CES1HPGDSMN1; SMN2KDM4E
Benz(B)Anthracene SCHEMBL31229359 0.77 ALDH1A1 (0.50) CES2CES1HPGDSMN1; SMN2KDM4E

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-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 US disclosed
EP-0062611-B1 PHOTOPOLYMERISATION PROCESS CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
EP-0062611-A2 Photopolymerisation process CIBA-GEIGY AG (CH) 1982-10-13 EP 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD CES2 4531/4885CES1 4797/4885HPGD 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.