SCHEMBL818463

SCHEMBL818463

Cc1ccccc1N1C=[N+](c2ccccc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX5 P09917 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL1950329 0.94 ADRB1 (0.36) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL29603042 0.90 ADRB1 (0.38) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL31127735 0.89 ADRB1 (0.37) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL1609146 0.74 ALDH1A1 (0.36) ALDH1A1ACHE
Hydrochloric Acid SCHEMBL15329756 0.73 KMT2A (0.38) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL18412483 0.70 CYP2D6 (0.33) MCOLN3
SCHEMBL1156328 0.65 ALDH1A1 (0.48) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL819638 0.64 ALDH1A1 (0.33) ALDH1A1MAPTKMT2AMEN1
SCHEMBL4291189 0.64 ADRB1 (0.72) ADRB1ALDH1A1HPGDSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1155766 0.63 ALDH1A1 (0.47) ADRB1ALDH1A1HPGDSMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-B1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME AMYRIS INC (US) 2019-09-11 — — EP disclosed
US-9221042-B2 Metal complexes, especially the ruthenium complexes, and use thereof APEIRON SYNTHESIS S.A. (PL) 2015-12-29 — — US disclosed
US-20150217283-A1 NOVEL METAL COMPLEXES, ESPECIALLY THE RUTHENIUM COMPLEXES, AND USE THEREOF APEIRON SYNTHESIS S.A. (PL) 2015-08-06 — — US disclosed
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same Amyris, Inc. (US) 2013-11-19 — — US disclosed
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 — — EP disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 — — WO disclosed
US-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME EUAGORE, LLC 2011-11-24 — — 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-20110287988-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME SQLE, FDFT1, COASY ADRB1 1432/4885ALDH1A1 155/4885HPGD 204/4885
US-20150217283-A1 NOVEL METAL COMPLEXES, ESPECIALLY THE RUTHENIUM COMPLEXES, AND USE THEREOF ABCB7, AP1M1, NDUFS5 ADRB1 3218/4885ALDH1A1 796/4885HPGD 1550/4885

“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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