Sugi Predict

Sugi Predict / Compounds / SCHEMBL16769034

SCHEMBL16769034

SCHEMBL16769034

CCOc1ccc(CCC2CCC(C3CCCC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.34
▸ CEL P19835 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ QRFPR Q96P65 1/20 0.32
▸ NPBWR1 P48145 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL21609933 0.99 CEL (0.35) CACNA2D1CELALDH1A1HPGDLMNA
SCHEMBL16769040 0.97 KDM1A (0.33) CACNA2D1CELALDH1A1HPGDLMNA
SCHEMBL22277545 0.92 KDM1A (0.33) KDM1AHTR2AHTR2C
SCHEMBL3437330 0.92 KDM1A (0.33) KDM1AHTR2AHTR2C
SCHEMBL13417711 0.92 KDM1A (0.33) KDM1AHTR2AHTR2C
SCHEMBL16638478 0.91 ALDH1A1 (0.35) ALDH1A1KDM1AHTR2AHTR2C
SCHEMBL21609934 0.90 CEL (0.41) CACNA2D1CELALDH1A1HPGDLMNA
SCHEMBL17189630 0.90 CEL (0.33) CELHPGDKDM1A
SCHEMBL3437343 0.90 CYP1A2 (0.33) HPGDTSHRMAPTKDM1AMEN1
SCHEMBL22277554 0.88 CNR2 (0.31) MAPTKDM1A

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 4 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-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
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 CACNA2D1 1423/4885CEL 663/4885ALDH1A1 3421/4885

“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.