SCHEMBL3674865

SCHEMBL3674865

CCCCCCCCCCCCCCCCCCc1ccc(CC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
MAPT P10636 3/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
TYR P14679 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CNR2 P34972 2/20 0.45
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44

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
SCHEMBL30537736 0.94 LIPG (0.57) LIPGMAPTNR1H2NR1H3TYR
SCHEMBL11779245 0.94 LIPG (0.57) LIPGMAPTNR1H2NR1H3TYR
SCHEMBL3677393 0.92 LIPG (0.53) LIPGMAPTNR1H2NR1H3TYR
SCHEMBL30537734 0.85 CNR2 (0.48) LIPGMAPTTYRCYP3A4TDP1
SCHEMBL8823285 0.85 CNR2 (0.48) LIPGMAPTTYRCYP3A4TDP1
SCHEMBL15345472 0.85 LIPG (0.49) LIPGMAPTTYRMEN1TP53
SCHEMBL30516896 0.85 LIPG (0.53) LIPGMAPTTYRMEN1TP53
SCHEMBL15345533 0.85 LIPG (0.49) LIPGMAPTTYRMEN1TP53
SCHEMBL7721087 0.83 TYR (0.57) LIPGMAPTTYRMEN1TP53
SCHEMBL1668443 0.83 LIPG (0.47) LIPGMAPTTYRMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227652-B2 Synthesis of propylbenzene from toluene and ethylene ALBEMARLE CORPORATION (US) 2012-07-24 US disclosed
US-20100145121-A1 SYNTHESIS OF PROPYLBENZENE FROM TOLUENE AND ETHYLENE ALBEMARLEE CORPORATION (US) 2010-06-10 US disclosed
EP-2139830-A1 SYNTHESIS OF PROPYLBENZENE FROM TOLUENE AND ETHYLENE Albemarle Corporation (US) 2010-01-06 EP disclosed
WO-2008121679-A9 SYNTHESIS OF PROPYLBENZENE FROM TOLUENE AND ETHYLENE ALBEMARLE CORP (US) 2008-12-31 WO disclosed
WO-2008121679-A1 SYNTHESIS OF PROPYLBENZENE FROM TOLUENE AND ETHYLENE ALBEMARLE CORPORATION (US) 2008-10-09 WO disclosed
US-5157186-A Using catalyst system prepared by heating molten alkali metal with alkali metal carbonate ETHYL CORPORATION (US) 1992-10-20 US disclosed
EP-0350171-B1 COUPLING PROCESS ETHYL CORPORATION (US) 1992-05-13 EP disclosed
EP-0322147-B1 COUPLING PROCESS ETHYL CORPORATION (US) 1992-05-06 EP disclosed
US-5104843-A Alkylation catalysts from heating melted alkali metal with alkali metal carbonate; selectivity in alkylation of aromatic hydrocarbons with alkenes ETHYL CORPORATION (US) 1992-04-14 US disclosed
US-4982035-A POTASSIUM OR ALLOY ALKYLATION CATALYST ETHYL CORPORATION (US) 1991-01-01 US disclosed
US-4977124-A DISPERSION OF POTASSIUM OR SODIUM/POTASSIUM ALLOY ON SUPPORTED GROUP 1A OR 2A OXIDE ETHYL CORPORATION (US) 1990-12-11 US disclosed
US-4950831-A Coupling process ETHYL CORPORATION (US) 1990-08-21 US disclosed
US-4929783-A CATALYTIC ALKYLATION OF ALKYLBENZENE WITH ETHYLENE OR PROPYLENE ETHYL CORPORATION (US) 1990-05-29 US disclosed
US-4922054-A Coupling process ETHYL CORPORATION (US) 1990-05-01 US disclosed
US-4914250-A FURTHER ALKYLATION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBONS USING CO-CATALYSTS OF SUPPORTED POTASSIUM OR IT ALLOYS MIXED WITH POTASSIUM OR SODIUM HYDROXIDES ETHYL CORPORATION (US) 1990-04-03 US disclosed
EP-0350171-A1 Coupling process ETHYL CORPORATION (US) 1990-01-10 EP disclosed
EP-0322147-A2 Coupling process ETHYL CORPORATION (US) 1989-06-28 EP disclosed
US-4179580-A CONDENSATION OF AN OLEFIN WITH A COMPOUND CONTAINING ACTIVE HYDROGENS IN THE PRESENCE OF A ALKALI METAL ANT TITANIUM PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 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-20100145121-A1 SYNTHESIS OF PROPYLBENZENE FROM TOLUENE AND ETHYLENE MYB, TERB1, ETV6 LIPG 3248/4885MAPT 1217/4885NR1H2 3030/4885

“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.