SCHEMBL12267697

SCHEMBL12267697

Cc1cc(C)cc(-[n+]2ccc(-c3cc[n+](-c4cc(C(=O)O)cc(C(=O)O)c4)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.52
▸ RXRA P19793 2/20 0.51
▸ RXRB P28702 2/20 0.51
▸ HCAR1 Q9BXC0 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ DHODH Q02127 4/20 0.40
▸ NR4A1 P22736 1/20 0.39
▸ P2RY14 Q15391 2/20 0.38
▸ FABP1 P07148 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ IP6K1 Q92551 1/20 0.35
▸ IP6K3 Q96PC2 1/20 0.35
▸ IP6K2 Q9UHH9 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL16433563 0.83 DHODH (0.46) DHODHP2RY14FABP1SRD5A2L3MBTL1
Hydrochloric Acid SCHEMBL3145406 0.80 ALDH1A1 (0.33) RXRARXRBALDH1A1KDM4ERCE1
SCHEMBL27588779 0.76 TPMT (0.73) TPMTRXRARXRBHCAR1CNR2
SCHEMBL7196197 0.74 SLC22A2 (0.32) RXRARXRB
SCHEMBL29738939 0.74 SLC22A2 (0.46) —
SCHEMBL15304782 0.72 TSHR (0.52) TPMTRXRARXRBALDH1A1SMN1; SMN2
SCHEMBL12446321 0.72 TPMT (0.73) TPMTRXRARXRBHCAR1CNR2
SCHEMBL221684 0.71 TPMT (1.00) TPMTRXRARXRBHCAR1CNR2
SCHEMBL40661 0.71 TPMT (0.89) TPMTRXRARXRBHCAR1CNR2
Bromide SCHEMBL28483905 0.70 CA12 (0.43) TPMTNR4A1ALDH1A1SMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110235151-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-09-29 — — 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-20110235151-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME CTCF, EML4, ETV6 TPMT 1676/4885RXRA 2438/4885RXRB 3012/4885

“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.

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