SCHEMBL16769043

SCHEMBL16769043

Cc1ccc(OC(=O)C2CCC(C3CCC3)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 5/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PDE4B Q07343 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16769047 0.97 KMT2A (0.38) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9999753 0.90 KMT2A (0.38) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL9999751 0.86 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL16769030 0.85 HPGD (0.46) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL17040412 0.84 KMT2A (0.39) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL14062700 0.84 HTT (0.34) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL16769029 0.82 HPGD (0.46) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL14062763 0.82 HTT (0.35) KMT2AHTTL3MBTL1MEN1RAB9A
SCHEMBL18069641 0.81 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL21609892 0.81 HPGD (0.47) KMT2AHTTSMN1; SMN2TDP1L3MBTL1

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-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 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-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 KMT2A 4004/4885HTT 4050/4885SMN1; SMN2 4766/4885

“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.