SCHEMBL3433491

SCHEMBL3433491

CC1CCC(CC2CCC(CC3CCC(C(=O)O)CC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
LMNA P02545 1/20 0.54
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL125689 0.89 LMNA (0.65) PLGPLATLMNAANPEPENPEP
SCHEMBL265529 0.86 LMNA (0.48) PLGPLATLMNAANPEPENPEP
SCHEMBL135662 0.86 LMNA (0.48) PLGPLATLMNAANPEPENPEP
SCHEMBL135660 0.86 LMNA (0.48) PLGPLATLMNAANPEPENPEP
SCHEMBL6913949 0.84 LMNA (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL6908741 0.84 LMNA (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL6914968 0.84 LMNA (0.46) PLGPLATLMNAANPEPENPEP
Hydrochloric Acid SCHEMBL134213 0.84 LMNA (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL6916906 0.84 LMNA (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL9820825 0.84 TSHR (0.52) PLGPLATLMNAANPEPENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-9422475-B2 Optically anisotropic compound and resin composition comprising the same LG CHEM, LTD. (KR) 2016-08-23 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 US disclosed
US-8883952-B2 Optically anisotropic compound and resin composition comprising the same LG CHEM, LTD. (KR) 2014-11-11 US disclosed
US-8163359-B2 Retardation film, and polarizing plate and liquid crystal display comprising the same LG CHEM, LTD. (KR) 2012-04-24 US disclosed
US-20100137484-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-06-03 US disclosed
US-20100105816-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-04-29 US disclosed
US-20090169774-A1 Retardation film, and polarizing plate and liquid crystal display comprising the same LG CHEM, LTD. (KR) 2009-07-02 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 (4 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-20100105816-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME RER1, SEM1, RCC1 PLG 3536/4885PLAT 2892/4885LMNA 3215/4885
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A PLG 4808/4885PLAT 3731/4885LMNA 4194/4885
US-20100137484-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME RER1, RCC1, ALG3 PLG 2306/4885PLAT 1365/4885LMNA 3270/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A PLG 4808/4885PLAT 3731/4885LMNA 4194/4885

“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.