SCHEMBL2051817

SCHEMBL2051817

Fc1ccccc1CCl.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
AOC3 Q16853 1/20 0.42
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
TSHR P16473 1/20 0.40
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL69225 0.97
SCHEMBL29602556 0.97
Water SCHEMBL11543448 0.95 TAAR1 (0.52) TAAR1IDO1MEN1KMT2ALMNA
Phosphine SCHEMBL4870115 0.95 TAAR1 (0.52) TAAR1IDO1MEN1KMT2ALMNA
SCHEMBL23860531 0.95 TAAR1 (0.52) TAAR1IDO1MEN1KMT2ALMNA
Alcohol SCHEMBL28982441 0.86 TAAR1 (0.45) TAAR1IDO1MEN1KMT2ALMNA
SCHEMBL10567340 0.83 TAAR1 (0.46) TAAR1IDO1MEN1KMT2ALMNA
Pentachlorophenol SCHEMBL10767431 0.81 TAAR1 (0.41) TAAR1IDO1MEN1KMT2ALMNA
SCHEMBL8108088 0.78 TAAR1 (0.41) TAAR1IDO1MEN1KMT2ALMNA
SCHEMBL3157328 0.78 CXCL8 (0.59) IDO1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394993-B2 Process for the preparation of pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-03-12 US claimed
US-20100274020-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-10-28 US claimed
US-8394993-B2 Process for the preparation of pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2013-03-12 US disclosed
EP-2231575-B1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDOE RESZVENYTARSASAG (HU) 2011-06-22 EP disclosed
US-20100274020-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-10-28 US disclosed
EP-2231575-A2 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Müködö Részvénytársaság (HU) 2010-09-29 EP disclosed
WO-2009068923-A2 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) 2009-06-04 WO disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed
US-4753932-A ANTIGLUCOCORTICOID ACTIVITY ROUSSEL UCLAF (FR) 1988-06-28 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-20100274020-A1 PROCESS FOR THE PREPARATION OF PHARMACEUTICAL INTERMEDIATES PF4, F2, F3 TAAR1 3966/4885IDO1 3637/4885MEN1 1453/4885

“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.