SCHEMBL17864584

SCHEMBL17864584

Cc1cc(O)c(C)c(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.65
▸ SELL P14151 1/20 0.50
▸ SELP P16109 1/20 0.50
▸ SELE P16581 1/20 0.50
▸ TRPA1 O75762 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ TTR P02766 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MPI P34949 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ACLY P53396 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 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
SCHEMBL69718 0.80 ACHE (1.00) ACHESELLSELPSELETRPA1
SCHEMBL18388076 0.80 ACHE (0.40) ACHESELLSELPSELEALDH1A1
SCHEMBL18751667 0.79 SELL (0.65) ACHESELLSELPSELETRPA1
SCHEMBL7134885 0.77 TTR (0.61) ACHESELLSELPSELEALDH1A1
SCHEMBL16621851 0.75 SELL (0.58) ACHESELLSELPSELETRPA1
SCHEMBL205747 0.72 ACHE (0.72) ACHESELLSELPSELETRPA1
SCHEMBL8917677 0.72 RAPGEF4 (0.39) ACHEALDH1A1MAPTKDM4EGAA
Formaldehyde SCHEMBL10878707 0.72 ACHE (0.82) ACHESELLSELPSELETRPA1
SCHEMBL16528140 0.72 ACHE (0.72) ACHESELLSELPSELETRPA1
Orcinol SCHEMBL8334005 0.70 ACHE (0.78) ACHESELLSELPSELETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2021-05-06 — — US disclosed
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2020-08-25 — — US disclosed
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2020-04-30 — — US disclosed
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2019-08-20 — — US disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 — — US disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 — — US disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 — — US disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 — — US disclosed
WO-2016097004-A1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS KING'S COLLEGE LONDON (GB) 2016-06-23 — — WO 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 (5 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-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885SELL 4341/4885SELP 4625/4885
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885SELL 4341/4885SELP 4625/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885SELL 4341/4885SELP 4625/4885
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RARG ACHE 1848/4885SELL 4389/4885SELP 4443/4885
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB ACHE 1740/4885SELL 4316/4885SELP 4596/4885

“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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