SCHEMBL20526232

SCHEMBL20526232

Cc1cc(C(C)(C)C)cc(C)c1P(=O)(O)c1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTR1D P28221 2/20 0.38
HTR1B P28222 1/20 0.38
RXRB P28702 4/20 0.37
PGK1 P00558 3/20 0.36
PGK2 P07205 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HMGCR P04035 1/20 0.35
RXRA P19793 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.33
RXRG P48443 1/20 0.33
LMNA P02545 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
SCHEMBL20526224 0.86 POLB (0.43) POLBGABRA1GABRB2HTR1DHTR1B
SCHEMBL21413063 0.78 PGK1 (0.43) PGK1PGK2ALDH1A1TSHRLMNA
Phosphoric Acid SCHEMBL8927513 0.78 GABRA1 (0.57) POLBGABRA1GABRB2RXRBPGK1
SCHEMBL17223176 0.75 HMGCR (0.49) POLBHTR1DHTR1BALDH1A1HMGCR
SCHEMBL1187006 0.71 CYP1A2 (0.42) CYP1A2CYP2D6ALDH1A1TSHRHPGD
Phosphoric Acid SCHEMBL28263412 0.71 CYP1A2 (0.57) POLBGABRA1GABRB2CYP1A2ALDH1A1
SCHEMBL7458197 0.70 RXRB (0.36) POLBGABRA1GABRB2RXRBPGK1
SCHEMBL28333944 0.70 GABRA1 (0.48) POLBGABRA1GABRB2RXRBPGK1
Phosphoric Acid SCHEMBL31241430 0.70 POLB (0.36) POLBGABRA1GABRB2HTR1DHTR1B
Hydrochloric Acid SCHEMBL1187246 0.70 CYP1A2 (0.41) POLBCYP1A2CYP2D6ALDH1A1TSHR

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-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-23 US disclosed
CN-108293284-B Electrochemical light-emitting cell, composition for forming light-emitting layer of electrochemical light-emitting cell, and ionic compound for light-emitting layer of electrochemical light-emitting cell NIPPON CHEMICAL INDUSTRIAL CO.,LTD. (JP) 2019-12-10 CN disclosed
US-20180301653-A1 LIGHT-EMITTING ELECTROCHEMICAL CELL, COMPOSITION FOR FORMING LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL, AND IONIC COMPOUND FOR LIGHT-EMITTING LAYER OF LIGHT-EMITTING ELECTROCHEMICAL CELL NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2018-10-18 US disclosed
EP-3386274-A1 ELECTROCHEMICAL LIGHT EMITTING CELL, COMPOSITION FOR FORMING LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL, AND IONIC COMPOUND FOR LIGHT EMITTING LAYER OF ELECTROCHEMICAL LIGHT EMITTING CELL Nippon Chemical Industrial Co., Ltd. (JP) 2018-10-10 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-10930872-B2 Light-emitting electrochemical cell, composition for forming light-emitting layer of light-emitting electrochemical cell, and ionic compound for light-emitting layer of light-emitting electrochemical cell CRY2, CRY1, L1CAM POLB 2635/4885GABRA1 1316/4885GABRB2 548/4885

“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.