SCHEMBL21339808

SCHEMBL21339808

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#Cc3ccc(CCCCCCC)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.58
NPC1 O15118 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
THRA P10827 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
PRSS1 P07477 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
SCHEMBL14907441 1.00 THRB (0.58) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14907445 0.97 THRB (0.59) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855658 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855662 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855561 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855532 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL18328876 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL14085075 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL15855554 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1
SCHEMBL16885029 0.95 THRB (0.64) THRBNPC1LMNASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907099-B2 Compound, composition, cured object, optically anisotropic body, and reflective film FUJIFILM CORPORATION (JP) 2021-02-02 US disclosed
US-20190276743-A1 COMPOUND, COMPOSITION, CURED OBJECT, OPTICALLY ANISOTROPIC BODY, AND REFLECTIVE FILM FUJIFILM CORPORATION (JP) 2019-09-12 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-10907099-B2 Compound, composition, cured object, optically anisotropic body, and reflective film CFL1, ADCY10, ADCY1 THRB 4344/4885NPC1 118/4885LMNA 939/4885

“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.