SCHEMBL17063260

SCHEMBL17063260

FC(F)(F)c1c(Br)cnn1C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP4F2 P78329 4/20 0.39
▸ CYP4A11 Q02928 4/20 0.39
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RET P07949 2/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL31641559 0.82 ALDH1A1 (0.47) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL14903852 0.78 CYP4F2 (0.47) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL30045758 0.78 ALDH1A1 (0.52) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL1475406 0.77 ALDH1A1 (0.36) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL14722651 0.77 RXRA (0.40) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29936967 0.77 RXRA (0.40) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL2896462 0.77 ALDH1A1 (0.48) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29015136 0.76 RXRA (0.46) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL30401675 0.76 RXRA (0.46) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL1674135 0.74 ALDH1A1 (0.43) ALDH1A1POLBLMNACYP4F2CYP4A11

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
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 — — WO disclosed
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 — — WO disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 — — US disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 — — US disclosed
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 — — EP disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 — — WO disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 — — WO disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 — — US disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 — — 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 (2 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-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG ALDH1A1 103/4885POLB 1037/4885LMNA 3652/4885
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG ALDH1A1 154/4885POLB 3179/4885LMNA 3042/4885

“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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