SCHEMBL17864582

SCHEMBL17864582

COc1cc(C)cc(I)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.52
▸ ERN1 O75460 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PMP22 Q01453 2/20 0.32

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
SCHEMBL2611542 0.82 ACHE (0.65) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL19242932 0.79 ACHE (0.70) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8760214 0.77 ACHE (0.48) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12584694 0.77 ERN1 (0.53) ACHEERN1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL28761010 0.77 ACHE (0.59) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11434747 0.76 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18388076 0.76 ACHE (0.40) ACHEALDH1A1TSHR
SCHEMBL29556815 0.75 ACHE (0.56) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL203782 0.75 ACHE (0.56) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL26108934 0.74 ACHE (0.44) ACHEALDH1A1SMN1; SMN2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885ERN1 3721/4885ALDH1A1 253/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB ACHE 1697/4885ERN1 3721/4885ALDH1A1 253/4885
US-10385044-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RARG ACHE 1848/4885ERN1 3657/4885ALDH1A1 239/4885
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB ACHE 1740/4885ERN1 3665/4885ALDH1A1 238/4885

“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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